data_27596 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27596 _Entry.Title ; 1H, 13C, 15N resonance assignment of the C-terminal domain of the bifunctional enzyme TraI of plasmid R1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-04 _Entry.Accession_date 2018-09-04 _Entry.Last_release_date 2018-09-04 _Entry.Original_release_date 2018-09-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Krishna Bhattiprolu . . . . 27596 2 Nina 'Gubens k' . . . . 27596 3 Gabriel Wagner . E. . . 27596 4 Ellen Zechner . . . . 27596 5 Sandra Raffl . . . . 27596 6 Walter Becker . . . . 27596 7 Evelyne Schrank . . . . 27596 8 Klaus Zangger . . . . 27596 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'university of Graz' . 27596 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27596 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 487 27596 '15N chemical shifts' 119 27596 '1H chemical shifts' 647 27596 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-04-11 2018-09-04 update BMRB 'update entry citation' 27596 1 . . 2019-01-10 2018-09-04 original author 'original release' 27596 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27596 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30617945 _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N resonance assignment of the C-terminal domain of the bifunctional enzyme TraI of plasmid R1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 121 _Citation.Page_last 125 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Bhattiprolu Krishna B. . . . 27596 1 2 Nina Gubensak N. . . . 27596 1 3 Gabriel Wagner G. E. . . 27596 1 4 Ellen Zechner E. . . . 27596 1 5 Sandra Raffl S. . . . 27596 1 6 Walter Becker W. . . . 27596 1 7 Evelyne Schrank E. . . . 27596 1 8 Klaus Zangger K. . . . 27596 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27596 _Assembly.ID 1 _Assembly.Name 'R1TraIC126 disordered region of R1 Relaxosome complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'R1 Relaxosome' 1 $R1TraIC126 A . yes native no no . . . 27596 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_R1TraIC126 _Entity.Sf_category entity _Entity.Sf_framecode R1TraIC126 _Entity.Entry_ID 27596 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name R1TraIC126 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNSVQPGAGNGEPVTAEVLA QRQAEEAIRRETERRADEIV RKMAENKPDLPDGKTELAVR DIAGQERDRSAISERETALP ESVLRESQREREAVREVARE NLLQERLQQMERDMVRDLQK EKTLGGD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 2 - 127 corresponds to residues 1630 - 1756 Methionine 1 (M1) is added during the cloning.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27596 1 2 . ASN . 27596 1 3 . SER . 27596 1 4 . VAL . 27596 1 5 . GLN . 27596 1 6 . PRO . 27596 1 7 . GLY . 27596 1 8 . ALA . 27596 1 9 . GLY . 27596 1 10 . ASN . 27596 1 11 . GLY . 27596 1 12 . GLU . 27596 1 13 . PRO . 27596 1 14 . VAL . 27596 1 15 . THR . 27596 1 16 . ALA . 27596 1 17 . GLU . 27596 1 18 . VAL . 27596 1 19 . LEU . 27596 1 20 . ALA . 27596 1 21 . GLN . 27596 1 22 . ARG . 27596 1 23 . GLN . 27596 1 24 . ALA . 27596 1 25 . GLU . 27596 1 26 . GLU . 27596 1 27 . ALA . 27596 1 28 . ILE . 27596 1 29 . ARG . 27596 1 30 . ARG . 27596 1 31 . GLU . 27596 1 32 . THR . 27596 1 33 . GLU . 27596 1 34 . ARG . 27596 1 35 . ARG . 27596 1 36 . ALA . 27596 1 37 . ASP . 27596 1 38 . GLU . 27596 1 39 . ILE . 27596 1 40 . VAL . 27596 1 41 . ARG . 27596 1 42 . LYS . 27596 1 43 . MET . 27596 1 44 . ALA . 27596 1 45 . GLU . 27596 1 46 . ASN . 27596 1 47 . LYS . 27596 1 48 . PRO . 27596 1 49 . ASP . 27596 1 50 . LEU . 27596 1 51 . PRO . 27596 1 52 . ASP . 27596 1 53 . GLY . 27596 1 54 . LYS . 27596 1 55 . THR . 27596 1 56 . GLU . 27596 1 57 . LEU . 27596 1 58 . ALA . 27596 1 59 . VAL . 27596 1 60 . ARG . 27596 1 61 . ASP . 27596 1 62 . ILE . 27596 1 63 . ALA . 27596 1 64 . GLY . 27596 1 65 . GLN . 27596 1 66 . GLU . 27596 1 67 . ARG . 27596 1 68 . ASP . 27596 1 69 . ARG . 27596 1 70 . SER . 27596 1 71 . ALA . 27596 1 72 . ILE . 27596 1 73 . SER . 27596 1 74 . GLU . 27596 1 75 . ARG . 27596 1 76 . GLU . 27596 1 77 . THR . 27596 1 78 . ALA . 27596 1 79 . LEU . 27596 1 80 . PRO . 27596 1 81 . GLU . 27596 1 82 . SER . 27596 1 83 . VAL . 27596 1 84 . LEU . 27596 1 85 . ARG . 27596 1 86 . GLU . 27596 1 87 . SER . 27596 1 88 . GLN . 27596 1 89 . ARG . 27596 1 90 . GLU . 27596 1 91 . ARG . 27596 1 92 . GLU . 27596 1 93 . ALA . 27596 1 94 . VAL . 27596 1 95 . ARG . 27596 1 96 . GLU . 27596 1 97 . VAL . 27596 1 98 . ALA . 27596 1 99 . ARG . 27596 1 100 . GLU . 27596 1 101 . ASN . 27596 1 102 . LEU . 27596 1 103 . LEU . 27596 1 104 . GLN . 27596 1 105 . GLU . 27596 1 106 . ARG . 27596 1 107 . LEU . 27596 1 108 . GLN . 27596 1 109 . GLN . 27596 1 110 . MET . 27596 1 111 . GLU . 27596 1 112 . ARG . 27596 1 113 . ASP . 27596 1 114 . MET . 27596 1 115 . VAL . 27596 1 116 . ARG . 27596 1 117 . ASP . 27596 1 118 . LEU . 27596 1 119 . GLN . 27596 1 120 . LYS . 27596 1 121 . GLU . 27596 1 122 . LYS . 27596 1 123 . THR . 27596 1 124 . LEU . 27596 1 125 . GLY . 27596 1 126 . GLY . 27596 1 127 . ASP . 27596 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27596 1 . ASN 2 2 27596 1 . SER 3 3 27596 1 . VAL 4 4 27596 1 . GLN 5 5 27596 1 . PRO 6 6 27596 1 . GLY 7 7 27596 1 . ALA 8 8 27596 1 . GLY 9 9 27596 1 . ASN 10 10 27596 1 . GLY 11 11 27596 1 . GLU 12 12 27596 1 . PRO 13 13 27596 1 . VAL 14 14 27596 1 . THR 15 15 27596 1 . ALA 16 16 27596 1 . GLU 17 17 27596 1 . VAL 18 18 27596 1 . LEU 19 19 27596 1 . ALA 20 20 27596 1 . GLN 21 21 27596 1 . ARG 22 22 27596 1 . GLN 23 23 27596 1 . ALA 24 24 27596 1 . GLU 25 25 27596 1 . GLU 26 26 27596 1 . ALA 27 27 27596 1 . ILE 28 28 27596 1 . ARG 29 29 27596 1 . ARG 30 30 27596 1 . GLU 31 31 27596 1 . THR 32 32 27596 1 . GLU 33 33 27596 1 . ARG 34 34 27596 1 . ARG 35 35 27596 1 . ALA 36 36 27596 1 . ASP 37 37 27596 1 . GLU 38 38 27596 1 . ILE 39 39 27596 1 . VAL 40 40 27596 1 . ARG 41 41 27596 1 . LYS 42 42 27596 1 . MET 43 43 27596 1 . ALA 44 44 27596 1 . GLU 45 45 27596 1 . ASN 46 46 27596 1 . LYS 47 47 27596 1 . PRO 48 48 27596 1 . ASP 49 49 27596 1 . LEU 50 50 27596 1 . PRO 51 51 27596 1 . ASP 52 52 27596 1 . GLY 53 53 27596 1 . LYS 54 54 27596 1 . THR 55 55 27596 1 . GLU 56 56 27596 1 . LEU 57 57 27596 1 . ALA 58 58 27596 1 . VAL 59 59 27596 1 . ARG 60 60 27596 1 . ASP 61 61 27596 1 . ILE 62 62 27596 1 . ALA 63 63 27596 1 . GLY 64 64 27596 1 . GLN 65 65 27596 1 . GLU 66 66 27596 1 . ARG 67 67 27596 1 . ASP 68 68 27596 1 . ARG 69 69 27596 1 . SER 70 70 27596 1 . ALA 71 71 27596 1 . ILE 72 72 27596 1 . SER 73 73 27596 1 . GLU 74 74 27596 1 . ARG 75 75 27596 1 . GLU 76 76 27596 1 . THR 77 77 27596 1 . ALA 78 78 27596 1 . LEU 79 79 27596 1 . PRO 80 80 27596 1 . GLU 81 81 27596 1 . SER 82 82 27596 1 . VAL 83 83 27596 1 . LEU 84 84 27596 1 . ARG 85 85 27596 1 . GLU 86 86 27596 1 . SER 87 87 27596 1 . GLN 88 88 27596 1 . ARG 89 89 27596 1 . GLU 90 90 27596 1 . ARG 91 91 27596 1 . GLU 92 92 27596 1 . ALA 93 93 27596 1 . VAL 94 94 27596 1 . ARG 95 95 27596 1 . GLU 96 96 27596 1 . VAL 97 97 27596 1 . ALA 98 98 27596 1 . ARG 99 99 27596 1 . GLU 100 100 27596 1 . ASN 101 101 27596 1 . LEU 102 102 27596 1 . LEU 103 103 27596 1 . GLN 104 104 27596 1 . GLU 105 105 27596 1 . ARG 106 106 27596 1 . LEU 107 107 27596 1 . GLN 108 108 27596 1 . GLN 109 109 27596 1 . MET 110 110 27596 1 . GLU 111 111 27596 1 . ARG 112 112 27596 1 . ASP 113 113 27596 1 . MET 114 114 27596 1 . VAL 115 115 27596 1 . ARG 116 116 27596 1 . ASP 117 117 27596 1 . LEU 118 118 27596 1 . GLN 119 119 27596 1 . LYS 120 120 27596 1 . GLU 121 121 27596 1 . LYS 122 122 27596 1 . THR 123 123 27596 1 . LEU 124 124 27596 1 . GLY 125 125 27596 1 . GLY 126 126 27596 1 . ASP 127 127 27596 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27596 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $R1TraIC126 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27596 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27596 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $R1TraIC126 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET Z2' . . . 27596 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27596 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 R1TraIC126 '[U-100% 15N]' . . 1 $R1TraIC126 . . 300 . . uM . . . . 27596 1 2 Na2HPO4 'natural abundance' . . . . . . 50 . . mM . . . . 27596 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27596 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27596 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 27596 1 pH 6.5 . pH 27596 1 pressure 1 . atm 27596 1 temperature 298 . K 27596 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27596 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27596 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27596 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27596 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27596 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 27596 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27596 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27596 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27596 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27596 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27596 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27596 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27596 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27596 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27596 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27596 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27596 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27596 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27596 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27596 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm . na indirect 1.0 . . . . . 27596 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27596 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27596 1 2 '2D 1H-13C HSQC' . . . 27596 1 3 '3D HNCACB' . . . 27596 1 4 '3D HNCA' . . . 27596 1 5 '3D HNCO' . . . 27596 1 6 '3D HN(CO)CA' . . . 27596 1 7 '3D C(CO)NH' . . . 27596 1 9 '3D HBHA(CO)NH' . . . 27596 1 10 '3D HCCH-TOCSY' . . . 27596 1 11 '3D 1H-15N NOESY' . . . 27596 1 12 '3D 1H-13C NOESY' . . . 27596 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 SER HA H 1 4.477 0.007 . 1 . . . . . 3 SER HA . 27596 1 2 . 1 1 3 3 SER HB2 H 1 3.861 0.000 . 1 . . . . . 3 SER HB2 . 27596 1 3 . 1 1 3 3 SER CA C 13 58.459 0.010 . 1 . . . . . 3 SER CA . 27596 1 4 . 1 1 3 3 SER CB C 13 63.957 0.025 . 1 . . . . . 3 SER CB . 27596 1 5 . 1 1 4 4 VAL H H 1 8.186 0.002 . 1 . . . . . 4 VAL H . 27596 1 6 . 1 1 4 4 VAL HA H 1 4.138 0.001 . 1 . . . . . 4 VAL HA . 27596 1 7 . 1 1 4 4 VAL HB H 1 2.060 0.002 . 1 . . . . . 4 VAL HB . 27596 1 8 . 1 1 4 4 VAL HG11 H 1 0.910 0.000 . 1 . . . . . 4 VAL HG11 . 27596 1 9 . 1 1 4 4 VAL HG12 H 1 0.910 0.000 . 1 . . . . . 4 VAL HG12 . 27596 1 10 . 1 1 4 4 VAL HG13 H 1 0.910 0.000 . 1 . . . . . 4 VAL HG13 . 27596 1 11 . 1 1 4 4 VAL HG21 H 1 0.910 0.000 . 1 . . . . . 4 VAL HG21 . 27596 1 12 . 1 1 4 4 VAL HG22 H 1 0.910 0.000 . 1 . . . . . 4 VAL HG22 . 27596 1 13 . 1 1 4 4 VAL HG23 H 1 0.910 0.000 . 1 . . . . . 4 VAL HG23 . 27596 1 14 . 1 1 4 4 VAL C C 13 175.936 0.003 . 1 . . . . . 4 VAL C . 27596 1 15 . 1 1 4 4 VAL CA C 13 62.301 0.039 . 1 . . . . . 4 VAL CA . 27596 1 16 . 1 1 4 4 VAL CB C 13 32.787 0.010 . 1 . . . . . 4 VAL CB . 27596 1 17 . 1 1 4 4 VAL CG1 C 13 20.497 0.000 . 2 . . . . . 4 VAL CG1 . 27596 1 18 . 1 1 4 4 VAL CG2 C 13 21.203 0.000 . 2 . . . . . 4 VAL CG2 . 27596 1 19 . 1 1 4 4 VAL N N 15 121.871 0.012 . 1 . . . . . 4 VAL N . 27596 1 20 . 1 1 5 5 GLN H H 1 8.422 0.006 . 1 . . . . . 5 GLN H . 27596 1 21 . 1 1 5 5 GLN HA H 1 4.637 0.001 . 1 . . . . . 5 GLN HA . 27596 1 22 . 1 1 5 5 GLN HB2 H 1 2.082 0.000 . 2 . . . . . 5 GLN HB2 . 27596 1 23 . 1 1 5 5 GLN HB3 H 1 1.926 0.001 . 2 . . . . . 5 GLN HB3 . 27596 1 24 . 1 1 5 5 GLN HG2 H 1 2.389 0.005 . 1 . . . . . 5 GLN HG2 . 27596 1 25 . 1 1 5 5 GLN C C 13 173.963 0.000 . 1 . . . . . 5 GLN C . 27596 1 26 . 1 1 5 5 GLN CA C 13 53.531 0.022 . 1 . . . . . 5 GLN CA . 27596 1 27 . 1 1 5 5 GLN CB C 13 28.981 0.033 . 1 . . . . . 5 GLN CB . 27596 1 28 . 1 1 5 5 GLN CG C 13 33.451 0.000 . 1 . . . . . 5 GLN CG . 27596 1 29 . 1 1 5 5 GLN N N 15 125.405 0.063 . 1 . . . . . 5 GLN N . 27596 1 30 . 1 1 6 6 PRO HA H 1 4.415 0.002 . 1 . . . . . 6 PRO HA . 27596 1 31 . 1 1 6 6 PRO HB2 H 1 2.301 0.004 . 2 . . . . . 6 PRO HB2 . 27596 1 32 . 1 1 6 6 PRO HB3 H 1 1.937 0.010 . 2 . . . . . 6 PRO HB3 . 27596 1 33 . 1 1 6 6 PRO HG2 H 1 1.947 0.000 . 1 . . . . . 6 PRO HG2 . 27596 1 34 . 1 1 6 6 PRO HG3 H 1 1.948 0.000 . 1 . . . . . 6 PRO HG3 . 27596 1 35 . 1 1 6 6 PRO HD2 H 1 3.813 0.000 . 2 . . . . . 6 PRO HD2 . 27596 1 36 . 1 1 6 6 PRO HD3 H 1 3.689 0.001 . 2 . . . . . 6 PRO HD3 . 27596 1 37 . 1 1 6 6 PRO CA C 13 63.570 0.050 . 1 . . . . . 6 PRO CA . 27596 1 38 . 1 1 6 6 PRO CB C 13 32.102 0.017 . 1 . . . . . 6 PRO CB . 27596 1 39 . 1 1 6 6 PRO CG C 13 27.427 0.002 . 1 . . . . . 6 PRO CG . 27596 1 40 . 1 1 6 6 PRO CD C 13 50.720 0.026 . 1 . . . . . 6 PRO CD . 27596 1 41 . 1 1 6 6 PRO N N 15 121.591 0.000 . 1 . . . . . 6 PRO N . 27596 1 42 . 1 1 7 7 GLY H H 1 8.484 0.003 . 1 . . . . . 7 GLY H . 27596 1 43 . 1 1 7 7 GLY HA2 H 1 3.958 0.001 . 1 . . . . . 7 GLY HA2 . 27596 1 44 . 1 1 7 7 GLY C C 13 174.015 0.001 . 1 . . . . . 7 GLY C . 27596 1 45 . 1 1 7 7 GLY CA C 13 45.320 0.028 . 1 . . . . . 7 GLY CA . 27596 1 46 . 1 1 7 7 GLY N N 15 109.828 0.020 . 1 . . . . . 7 GLY N . 27596 1 47 . 1 1 8 8 ALA H H 1 8.143 0.002 . 1 . . . . . 8 ALA H . 27596 1 48 . 1 1 8 8 ALA HA H 1 4.352 0.004 . 1 . . . . . 8 ALA HA . 27596 1 49 . 1 1 8 8 ALA HB1 H 1 1.405 0.002 . 1 . . . . . 8 ALA HB1 . 27596 1 50 . 1 1 8 8 ALA HB2 H 1 1.405 0.002 . 1 . . . . . 8 ALA HB2 . 27596 1 51 . 1 1 8 8 ALA HB3 H 1 1.405 0.002 . 1 . . . . . 8 ALA HB3 . 27596 1 52 . 1 1 8 8 ALA C C 13 178.372 0.002 . 1 . . . . . 8 ALA C . 27596 1 53 . 1 1 8 8 ALA CA C 13 52.679 0.040 . 1 . . . . . 8 ALA CA . 27596 1 54 . 1 1 8 8 ALA CB C 13 19.489 0.019 . 1 . . . . . 8 ALA CB . 27596 1 55 . 1 1 8 8 ALA N N 15 123.672 0.009 . 1 . . . . . 8 ALA N . 27596 1 56 . 1 1 9 9 GLY H H 1 8.432 0.002 . 1 . . . . . 9 GLY H . 27596 1 57 . 1 1 9 9 GLY HA2 H 1 3.965 0.001 . 1 . . . . . 9 GLY HA2 . 27596 1 58 . 1 1 9 9 GLY C C 13 174.172 0.000 . 1 . . . . . 9 GLY C . 27596 1 59 . 1 1 9 9 GLY CA C 13 45.473 0.027 . 1 . . . . . 9 GLY CA . 27596 1 60 . 1 1 9 9 GLY N N 15 108.219 0.022 . 1 . . . . . 9 GLY N . 27596 1 61 . 1 1 10 10 ASN H H 1 8.349 0.002 . 1 . . . . . 10 ASN H . 27596 1 62 . 1 1 10 10 ASN HA H 1 4.755 0.000 . 1 . . . . . 10 ASN HA . 27596 1 63 . 1 1 10 10 ASN HB2 H 1 2.829 0.000 . 1 . . . . . 10 ASN HB2 . 27596 1 64 . 1 1 10 10 ASN HB3 H 1 2.830 0.000 . 1 . . . . . 10 ASN HB3 . 27596 1 65 . 1 1 10 10 ASN C C 13 175.792 0.004 . 1 . . . . . 10 ASN C . 27596 1 66 . 1 1 10 10 ASN CA C 13 53.302 0.016 . 1 . . . . . 10 ASN CA . 27596 1 67 . 1 1 10 10 ASN CB C 13 39.163 0.023 . 1 . . . . . 10 ASN CB . 27596 1 68 . 1 1 10 10 ASN N N 15 118.702 0.015 . 1 . . . . . 10 ASN N . 27596 1 69 . 1 1 11 11 GLY H H 1 8.417 0.002 . 1 . . . . . 11 GLY H . 27596 1 70 . 1 1 11 11 GLY HA2 H 1 3.950 0.000 . 1 . . . . . 11 GLY HA2 . 27596 1 71 . 1 1 11 11 GLY C C 13 173.883 0.000 . 1 . . . . . 11 GLY C . 27596 1 72 . 1 1 11 11 GLY CA C 13 45.277 0.029 . 1 . . . . . 11 GLY CA . 27596 1 73 . 1 1 11 11 GLY N N 15 109.355 0.022 . 1 . . . . . 11 GLY N . 27596 1 74 . 1 1 12 12 GLU H H 1 8.165 0.002 . 1 . . . . . 12 GLU H . 27596 1 75 . 1 1 12 12 GLU HA H 1 4.581 0.000 . 1 . . . . . 12 GLU HA . 27596 1 76 . 1 1 12 12 GLU HB2 H 1 1.900 0.000 . 2 . . . . . 12 GLU HB2 . 27596 1 77 . 1 1 12 12 GLU HB3 H 1 2.032 0.000 . 2 . . . . . 12 GLU HB3 . 27596 1 78 . 1 1 12 12 GLU HG2 H 1 2.275 0.000 . 1 . . . . . 12 GLU HG2 . 27596 1 79 . 1 1 12 12 GLU C C 13 174.698 0.000 . 1 . . . . . 12 GLU C . 27596 1 80 . 1 1 12 12 GLU CA C 13 54.589 0.001 . 1 . . . . . 12 GLU CA . 27596 1 81 . 1 1 12 12 GLU CB C 13 29.650 0.016 . 1 . . . . . 12 GLU CB . 27596 1 82 . 1 1 12 12 GLU CG C 13 35.901 0.000 . 1 . . . . . 12 GLU CG . 27596 1 83 . 1 1 12 12 GLU N N 15 121.885 0.021 . 1 . . . . . 12 GLU N . 27596 1 84 . 1 1 13 13 PRO HA H 1 4.462 0.002 . 1 . . . . . 13 PRO HA . 27596 1 85 . 1 1 13 13 PRO HB2 H 1 2.258 0.000 . 2 . . . . . 13 PRO HB2 . 27596 1 86 . 1 1 13 13 PRO HB3 H 1 1.900 0.000 . 2 . . . . . 13 PRO HB3 . 27596 1 87 . 1 1 13 13 PRO HG2 H 1 2.062 0.000 . 1 . . . . . 13 PRO HG2 . 27596 1 88 . 1 1 13 13 PRO HD2 H 1 3.830 0.000 . 1 . . . . . 13 PRO HD2 . 27596 1 89 . 1 1 13 13 PRO C C 13 176.846 0.000 . 1 . . . . . 13 PRO C . 27596 1 90 . 1 1 13 13 PRO CA C 13 63.220 0.017 . 1 . . . . . 13 PRO CA . 27596 1 91 . 1 1 13 13 PRO CB C 13 31.968 0.043 . 1 . . . . . 13 PRO CB . 27596 1 92 . 1 1 13 13 PRO CG C 13 27.449 0.000 . 1 . . . . . 13 PRO CG . 27596 1 93 . 1 1 13 13 PRO CD C 13 50.668 0.000 . 1 . . . . . 13 PRO CD . 27596 1 94 . 1 1 14 14 VAL H H 1 8.267 0.002 . 1 . . . . . 14 VAL H . 27596 1 95 . 1 1 14 14 VAL HA H 1 4.200 0.001 . 1 . . . . . 14 VAL HA . 27596 1 96 . 1 1 14 14 VAL HB H 1 2.077 0.000 . 1 . . . . . 14 VAL HB . 27596 1 97 . 1 1 14 14 VAL HG11 H 1 0.980 0.000 . 1 . . . . . 14 VAL HG11 . 27596 1 98 . 1 1 14 14 VAL HG12 H 1 0.980 0.000 . 1 . . . . . 14 VAL HG12 . 27596 1 99 . 1 1 14 14 VAL HG13 H 1 0.980 0.000 . 1 . . . . . 14 VAL HG13 . 27596 1 100 . 1 1 14 14 VAL HG21 H 1 0.980 0.000 . 1 . . . . . 14 VAL HG21 . 27596 1 101 . 1 1 14 14 VAL HG22 H 1 0.980 0.000 . 1 . . . . . 14 VAL HG22 . 27596 1 102 . 1 1 14 14 VAL HG23 H 1 0.980 0.000 . 1 . . . . . 14 VAL HG23 . 27596 1 103 . 1 1 14 14 VAL C C 13 176.279 0.004 . 1 . . . . . 14 VAL C . 27596 1 104 . 1 1 14 14 VAL CA C 13 62.162 0.031 . 1 . . . . . 14 VAL CA . 27596 1 105 . 1 1 14 14 VAL CB C 13 32.834 0.035 . 1 . . . . . 14 VAL CB . 27596 1 106 . 1 1 14 14 VAL CG1 C 13 20.624 0.000 . 2 . . . . . 14 VAL CG1 . 27596 1 107 . 1 1 14 14 VAL CG2 C 13 21.480 0.000 . 2 . . . . . 14 VAL CG2 . 27596 1 108 . 1 1 14 14 VAL N N 15 120.741 0.030 . 1 . . . . . 14 VAL N . 27596 1 109 . 1 1 15 15 THR H H 1 7.818 0.004 . 1 . . . . . 15 THR H . 27596 1 110 . 1 1 15 15 THR HA H 1 4.359 0.004 . 1 . . . . . 15 THR HA . 27596 1 111 . 1 1 15 15 THR HB H 1 4.514 0.003 . 1 . . . . . 15 THR HB . 27596 1 112 . 1 1 15 15 THR HG21 H 1 1.286 0.001 . 1 . . . . . 15 THR HG21 . 27596 1 113 . 1 1 15 15 THR HG22 H 1 1.286 0.001 . 1 . . . . . 15 THR HG22 . 27596 1 114 . 1 1 15 15 THR HG23 H 1 1.286 0.001 . 1 . . . . . 15 THR HG23 . 27596 1 115 . 1 1 15 15 THR C C 13 174.854 0.002 . 1 . . . . . 15 THR C . 27596 1 116 . 1 1 15 15 THR CA C 13 61.437 0.051 . 1 . . . . . 15 THR CA . 27596 1 117 . 1 1 15 15 THR CB C 13 70.704 0.017 . 1 . . . . . 15 THR CB . 27596 1 118 . 1 1 15 15 THR CG2 C 13 22.005 0.034 . 1 . . . . . 15 THR CG2 . 27596 1 119 . 1 1 15 15 THR N N 15 116.589 0.023 . 1 . . . . . 15 THR N . 27596 1 120 . 1 1 16 16 ALA H H 1 8.658 0.002 . 1 . . . . . 16 ALA H . 27596 1 121 . 1 1 16 16 ALA HA H 1 4.129 0.000 . 1 . . . . . 16 ALA HA . 27596 1 122 . 1 1 16 16 ALA HB1 H 1 1.448 0.000 . 1 . . . . . 16 ALA HB1 . 27596 1 123 . 1 1 16 16 ALA HB2 H 1 1.448 0.000 . 1 . . . . . 16 ALA HB2 . 27596 1 124 . 1 1 16 16 ALA HB3 H 1 1.448 0.000 . 1 . . . . . 16 ALA HB3 . 27596 1 125 . 1 1 16 16 ALA C C 13 179.688 0.005 . 1 . . . . . 16 ALA C . 27596 1 126 . 1 1 16 16 ALA CA C 13 54.579 0.028 . 1 . . . . . 16 ALA CA . 27596 1 127 . 1 1 16 16 ALA CB C 13 18.630 0.008 . 1 . . . . . 16 ALA CB . 27596 1 128 . 1 1 16 16 ALA N N 15 124.367 0.024 . 1 . . . . . 16 ALA N . 27596 1 129 . 1 1 17 17 GLU H H 1 8.593 0.002 . 1 . . . . . 17 GLU H . 27596 1 130 . 1 1 17 17 GLU HA H 1 4.145 0.000 . 1 . . . . . 17 GLU HA . 27596 1 131 . 1 1 17 17 GLU HB2 H 1 2.018 0.000 . 1 . . . . . 17 GLU HB2 . 27596 1 132 . 1 1 17 17 GLU HG2 H 1 2.311 0.000 . 1 . . . . . 17 GLU HG2 . 27596 1 133 . 1 1 17 17 GLU C C 13 178.331 0.000 . 1 . . . . . 17 GLU C . 27596 1 134 . 1 1 17 17 GLU CA C 13 59.029 0.022 . 1 . . . . . 17 GLU CA . 27596 1 135 . 1 1 17 17 GLU CB C 13 29.547 0.026 . 1 . . . . . 17 GLU CB . 27596 1 136 . 1 1 17 17 GLU CG C 13 36.712 0.000 . 1 . . . . . 17 GLU CG . 27596 1 137 . 1 1 17 17 GLU N N 15 118.920 0.018 . 1 . . . . . 17 GLU N . 27596 1 138 . 1 1 18 18 VAL H H 1 7.680 0.004 . 1 . . . . . 18 VAL H . 27596 1 139 . 1 1 18 18 VAL HA H 1 3.855 0.000 . 1 . . . . . 18 VAL HA . 27596 1 140 . 1 1 18 18 VAL HB H 1 2.119 0.000 . 1 . . . . . 18 VAL HB . 27596 1 141 . 1 1 18 18 VAL HG11 H 1 1.030 0.000 . 2 . . . . . 18 VAL HG11 . 27596 1 142 . 1 1 18 18 VAL HG12 H 1 1.030 0.000 . 2 . . . . . 18 VAL HG12 . 27596 1 143 . 1 1 18 18 VAL HG13 H 1 1.030 0.000 . 2 . . . . . 18 VAL HG13 . 27596 1 144 . 1 1 18 18 VAL HG21 H 1 0.944 0.000 . 2 . . . . . 18 VAL HG21 . 27596 1 145 . 1 1 18 18 VAL HG22 H 1 0.944 0.000 . 2 . . . . . 18 VAL HG22 . 27596 1 146 . 1 1 18 18 VAL HG23 H 1 0.944 0.000 . 2 . . . . . 18 VAL HG23 . 27596 1 147 . 1 1 18 18 VAL C C 13 177.962 0.008 . 1 . . . . . 18 VAL C . 27596 1 148 . 1 1 18 18 VAL CA C 13 65.163 0.047 . 1 . . . . . 18 VAL CA . 27596 1 149 . 1 1 18 18 VAL CB C 13 31.979 0.031 . 1 . . . . . 18 VAL CB . 27596 1 150 . 1 1 18 18 VAL CG1 C 13 22.365 0.003 . 2 . . . . . 18 VAL CG1 . 27596 1 151 . 1 1 18 18 VAL CG2 C 13 21.204 0.000 . 2 . . . . . 18 VAL CG2 . 27596 1 152 . 1 1 18 18 VAL N N 15 122.071 0.083 . 1 . . . . . 18 VAL N . 27596 1 153 . 1 1 19 19 LEU H H 1 8.172 0.003 . 1 . . . . . 19 LEU H . 27596 1 154 . 1 1 19 19 LEU HA H 1 4.060 0.000 . 1 . . . . . 19 LEU HA . 27596 1 155 . 1 1 19 19 LEU HB2 H 1 1.705 0.000 . 2 . . . . . 19 LEU HB2 . 27596 1 156 . 1 1 19 19 LEU HB3 H 1 1.599 0.000 . 2 . . . . . 19 LEU HB3 . 27596 1 157 . 1 1 19 19 LEU HD11 H 1 0.883 0.000 . 1 . . . . . 19 LEU HD11 . 27596 1 158 . 1 1 19 19 LEU HD12 H 1 0.883 0.000 . 1 . . . . . 19 LEU HD12 . 27596 1 159 . 1 1 19 19 LEU HD13 H 1 0.883 0.000 . 1 . . . . . 19 LEU HD13 . 27596 1 160 . 1 1 19 19 LEU C C 13 178.863 0.006 . 1 . . . . . 19 LEU C . 27596 1 161 . 1 1 19 19 LEU CA C 13 57.461 0.001 . 1 . . . . . 19 LEU CA . 27596 1 162 . 1 1 19 19 LEU CB C 13 41.716 0.013 . 1 . . . . . 19 LEU CB . 27596 1 163 . 1 1 19 19 LEU CD1 C 13 24.678 0.000 . 1 . . . . . 19 LEU CD1 . 27596 1 164 . 1 1 19 19 LEU N N 15 122.379 0.030 . 1 . . . . . 19 LEU N . 27596 1 165 . 1 1 20 20 ALA H H 1 8.081 0.004 . 1 . . . . . 20 ALA H . 27596 1 166 . 1 1 20 20 ALA HA H 1 4.204 0.000 . 1 . . . . . 20 ALA HA . 27596 1 167 . 1 1 20 20 ALA HB1 H 1 1.477 0.000 . 1 . . . . . 20 ALA HB1 . 27596 1 168 . 1 1 20 20 ALA HB2 H 1 1.477 0.000 . 1 . . . . . 20 ALA HB2 . 27596 1 169 . 1 1 20 20 ALA HB3 H 1 1.477 0.000 . 1 . . . . . 20 ALA HB3 . 27596 1 170 . 1 1 20 20 ALA C C 13 180.100 0.004 . 1 . . . . . 20 ALA C . 27596 1 171 . 1 1 20 20 ALA CA C 13 54.466 0.015 . 1 . . . . . 20 ALA CA . 27596 1 172 . 1 1 20 20 ALA CB C 13 18.341 0.008 . 1 . . . . . 20 ALA CB . 27596 1 173 . 1 1 20 20 ALA N N 15 121.723 0.026 . 1 . . . . . 20 ALA N . 27596 1 174 . 1 1 21 21 GLN H H 1 7.965 0.002 . 1 . . . . . 21 GLN H . 27596 1 175 . 1 1 21 21 GLN HA H 1 4.183 0.000 . 1 . . . . . 21 GLN HA . 27596 1 176 . 1 1 21 21 GLN HB2 H 1 2.193 0.000 . 1 . . . . . 21 GLN HB2 . 27596 1 177 . 1 1 21 21 GLN HG2 H 1 2.514 0.000 . 2 . . . . . 21 GLN HG2 . 27596 1 178 . 1 1 21 21 GLN HG3 H 1 2.410 0.000 . 2 . . . . . 21 GLN HG3 . 27596 1 179 . 1 1 21 21 GLN C C 13 177.985 0.000 . 1 . . . . . 21 GLN C . 27596 1 180 . 1 1 21 21 GLN CA C 13 58.123 0.023 . 1 . . . . . 21 GLN CA . 27596 1 181 . 1 1 21 21 GLN CB C 13 28.450 0.009 . 1 . . . . . 21 GLN CB . 27596 1 182 . 1 1 21 21 GLN CG C 13 33.846 0.002 . 1 . . . . . 21 GLN CG . 27596 1 183 . 1 1 21 21 GLN N N 15 119.723 0.020 . 1 . . . . . 21 GLN N . 27596 1 184 . 1 1 22 22 ARG H H 1 8.296 0.001 . 1 . . . . . 22 ARG H . 27596 1 185 . 1 1 22 22 ARG HA H 1 4.202 0.000 . 1 . . . . . 22 ARG HA . 27596 1 186 . 1 1 22 22 ARG HB2 H 1 1.943 0.000 . 1 . . . . . 22 ARG HB2 . 27596 1 187 . 1 1 22 22 ARG HD2 H 1 3.213 0.000 . 2 . . . . . 22 ARG HD2 . 27596 1 188 . 1 1 22 22 ARG HD3 H 1 3.108 0.000 . 2 . . . . . 22 ARG HD3 . 27596 1 189 . 1 1 22 22 ARG C C 13 178.714 0.013 . 1 . . . . . 22 ARG C . 27596 1 190 . 1 1 22 22 ARG CA C 13 58.500 0.053 . 1 . . . . . 22 ARG CA . 27596 1 191 . 1 1 22 22 ARG CB C 13 30.419 0.016 . 1 . . . . . 22 ARG CB . 27596 1 192 . 1 1 22 22 ARG CG C 13 27.169 0.000 . 1 . . . . . 22 ARG CG . 27596 1 193 . 1 1 22 22 ARG CD C 13 43.726 0.001 . 1 . . . . . 22 ARG CD . 27596 1 194 . 1 1 22 22 ARG N N 15 120.508 0.028 . 1 . . . . . 22 ARG N . 27596 1 195 . 1 1 23 23 GLN H H 1 8.279 0.002 . 1 . . . . . 23 GLN H . 27596 1 196 . 1 1 23 23 GLN HA H 1 4.153 0.000 . 1 . . . . . 23 GLN HA . 27596 1 197 . 1 1 23 23 GLN HB2 H 1 2.129 0.000 . 1 . . . . . 23 GLN HB2 . 27596 1 198 . 1 1 23 23 GLN HG2 H 1 2.417 0.000 . 1 . . . . . 23 GLN HG2 . 27596 1 199 . 1 1 23 23 GLN C C 13 178.121 0.015 . 1 . . . . . 23 GLN C . 27596 1 200 . 1 1 23 23 GLN CA C 13 58.192 0.000 . 1 . . . . . 23 GLN CA . 27596 1 201 . 1 1 23 23 GLN CB C 13 28.688 0.002 . 1 . . . . . 23 GLN CB . 27596 1 202 . 1 1 23 23 GLN CG C 13 34.161 0.000 . 1 . . . . . 23 GLN CG . 27596 1 203 . 1 1 23 23 GLN N N 15 119.626 0.028 . 1 . . . . . 23 GLN N . 27596 1 204 . 1 1 24 24 ALA H H 1 8.071 0.003 . 1 . . . . . 24 ALA H . 27596 1 205 . 1 1 24 24 ALA HA H 1 4.242 0.000 . 1 . . . . . 24 ALA HA . 27596 1 206 . 1 1 24 24 ALA HB1 H 1 1.518 0.000 . 1 . . . . . 24 ALA HB1 . 27596 1 207 . 1 1 24 24 ALA HB2 H 1 1.518 0.000 . 1 . . . . . 24 ALA HB2 . 27596 1 208 . 1 1 24 24 ALA HB3 H 1 1.518 0.000 . 1 . . . . . 24 ALA HB3 . 27596 1 209 . 1 1 24 24 ALA C C 13 179.771 0.004 . 1 . . . . . 24 ALA C . 27596 1 210 . 1 1 24 24 ALA CA C 13 54.487 0.021 . 1 . . . . . 24 ALA CA . 27596 1 211 . 1 1 24 24 ALA CB C 13 18.352 0.024 . 1 . . . . . 24 ALA CB . 27596 1 212 . 1 1 24 24 ALA N N 15 123.887 0.023 . 1 . . . . . 24 ALA N . 27596 1 213 . 1 1 25 25 GLU H H 1 8.184 0.001 . 1 . . . . . 25 GLU H . 27596 1 214 . 1 1 25 25 GLU HA H 1 4.092 0.000 . 1 . . . . . 25 GLU HA . 27596 1 215 . 1 1 25 25 GLU HG2 H 1 2.452 0.000 . 1 . . . . . 25 GLU HG2 . 27596 1 216 . 1 1 25 25 GLU C C 13 178.833 0.006 . 1 . . . . . 25 GLU C . 27596 1 217 . 1 1 25 25 GLU CA C 13 58.684 0.003 . 1 . . . . . 25 GLU CA . 27596 1 218 . 1 1 25 25 GLU CB C 13 29.755 0.000 . 1 . . . . . 25 GLU CB . 27596 1 219 . 1 1 25 25 GLU CG C 13 36.524 0.000 . 1 . . . . . 25 GLU CG . 27596 1 220 . 1 1 25 25 GLU N N 15 118.984 0.017 . 1 . . . . . 25 GLU N . 27596 1 221 . 1 1 26 26 GLU H H 1 8.196 0.001 . 1 . . . . . 26 GLU H . 27596 1 222 . 1 1 26 26 GLU HA H 1 4.136 0.000 . 1 . . . . . 26 GLU HA . 27596 1 223 . 1 1 26 26 GLU HB2 H 1 2.089 0.000 . 1 . . . . . 26 GLU HB2 . 27596 1 224 . 1 1 26 26 GLU HG2 H 1 2.337 0.000 . 1 . . . . . 26 GLU HG2 . 27596 1 225 . 1 1 26 26 GLU C C 13 177.826 0.001 . 1 . . . . . 26 GLU C . 27596 1 226 . 1 1 26 26 GLU CA C 13 58.470 0.040 . 1 . . . . . 26 GLU CA . 27596 1 227 . 1 1 26 26 GLU CB C 13 29.676 0.051 . 1 . . . . . 26 GLU CB . 27596 1 228 . 1 1 26 26 GLU CG C 13 36.260 0.000 . 1 . . . . . 26 GLU CG . 27596 1 229 . 1 1 26 26 GLU N N 15 120.713 0.017 . 1 . . . . . 26 GLU N . 27596 1 230 . 1 1 27 27 ALA H H 1 7.952 0.002 . 1 . . . . . 27 ALA H . 27596 1 231 . 1 1 27 27 ALA HA H 1 4.162 0.000 . 1 . . . . . 27 ALA HA . 27596 1 232 . 1 1 27 27 ALA HB1 H 1 1.506 0.000 . 1 . . . . . 27 ALA HB1 . 27596 1 233 . 1 1 27 27 ALA HB2 H 1 1.506 0.000 . 1 . . . . . 27 ALA HB2 . 27596 1 234 . 1 1 27 27 ALA HB3 H 1 1.506 0.000 . 1 . . . . . 27 ALA HB3 . 27596 1 235 . 1 1 27 27 ALA C C 13 179.987 0.000 . 1 . . . . . 27 ALA C . 27596 1 236 . 1 1 27 27 ALA CA C 13 54.667 0.051 . 1 . . . . . 27 ALA CA . 27596 1 237 . 1 1 27 27 ALA CB C 13 18.345 0.024 . 1 . . . . . 27 ALA CB . 27596 1 238 . 1 1 27 27 ALA N N 15 122.389 0.022 . 1 . . . . . 27 ALA N . 27596 1 239 . 1 1 28 28 ILE H H 1 7.741 0.004 . 1 . . . . . 28 ILE H . 27596 1 240 . 1 1 28 28 ILE HA H 1 3.948 0.000 . 1 . . . . . 28 ILE HA . 27596 1 241 . 1 1 28 28 ILE HB H 1 1.938 0.000 . 1 . . . . . 28 ILE HB . 27596 1 242 . 1 1 28 28 ILE HG12 H 1 1.214 0.000 . 2 . . . . . 28 ILE HG12 . 27596 1 243 . 1 1 28 28 ILE HG13 H 1 1.641 0.000 . 2 . . . . . 28 ILE HG13 . 27596 1 244 . 1 1 28 28 ILE HG21 H 1 0.909 0.000 . 1 . . . . . 28 ILE HG21 . 27596 1 245 . 1 1 28 28 ILE HG22 H 1 0.909 0.000 . 1 . . . . . 28 ILE HG22 . 27596 1 246 . 1 1 28 28 ILE HG23 H 1 0.909 0.000 . 1 . . . . . 28 ILE HG23 . 27596 1 247 . 1 1 28 28 ILE HD11 H 1 0.856 0.000 . 1 . . . . . 28 ILE HD11 . 27596 1 248 . 1 1 28 28 ILE HD12 H 1 0.856 0.000 . 1 . . . . . 28 ILE HD12 . 27596 1 249 . 1 1 28 28 ILE HD13 H 1 0.856 0.000 . 1 . . . . . 28 ILE HD13 . 27596 1 250 . 1 1 28 28 ILE C C 13 178.204 0.003 . 1 . . . . . 28 ILE C . 27596 1 251 . 1 1 28 28 ILE CA C 13 63.493 0.003 . 1 . . . . . 28 ILE CA . 27596 1 252 . 1 1 28 28 ILE CB C 13 38.290 0.035 . 1 . . . . . 28 ILE CB . 27596 1 253 . 1 1 28 28 ILE CG1 C 13 28.584 0.002 . 1 . . . . . 28 ILE CG1 . 27596 1 254 . 1 1 28 28 ILE CG2 C 13 17.357 0.018 . 1 . . . . . 28 ILE CG2 . 27596 1 255 . 1 1 28 28 ILE CD1 C 13 12.952 0.027 . 1 . . . . . 28 ILE CD1 . 27596 1 256 . 1 1 28 28 ILE N N 15 119.008 0.044 . 1 . . . . . 28 ILE N . 27596 1 257 . 1 1 29 29 ARG H H 1 8.072 0.001 . 1 . . . . . 29 ARG H . 27596 1 258 . 1 1 29 29 ARG HA H 1 4.193 0.000 . 1 . . . . . 29 ARG HA . 27596 1 259 . 1 1 29 29 ARG HB2 H 1 1.943 0.000 . 1 . . . . . 29 ARG HB2 . 27596 1 260 . 1 1 29 29 ARG C C 13 178.031 0.000 . 1 . . . . . 29 ARG C . 27596 1 261 . 1 1 29 29 ARG CA C 13 58.617 0.033 . 1 . . . . . 29 ARG CA . 27596 1 262 . 1 1 29 29 ARG CB C 13 30.239 0.000 . 1 . . . . . 29 ARG CB . 27596 1 263 . 1 1 29 29 ARG N N 15 123.393 0.021 . 1 . . . . . 29 ARG N . 27596 1 264 . 1 1 30 30 ARG H H 1 8.285 0.000 . 1 . . . . . 30 ARG H . 27596 1 265 . 1 1 30 30 ARG HA H 1 4.196 0.000 . 1 . . . . . 30 ARG HA . 27596 1 266 . 1 1 30 30 ARG C C 13 178.159 0.071 . 1 . . . . . 30 ARG C . 27596 1 267 . 1 1 30 30 ARG CA C 13 58.115 0.000 . 1 . . . . . 30 ARG CA . 27596 1 268 . 1 1 30 30 ARG N N 15 119.644 0.019 . 1 . . . . . 30 ARG N . 27596 1 269 . 1 1 31 31 GLU H H 1 8.101 0.003 . 1 . . . . . 31 GLU H . 27596 1 270 . 1 1 31 31 GLU HA H 1 4.270 0.000 . 1 . . . . . 31 GLU HA . 27596 1 271 . 1 1 31 31 GLU HB2 H 1 2.117 0.000 . 1 . . . . . 31 GLU HB2 . 27596 1 272 . 1 1 31 31 GLU HG2 H 1 2.350 0.000 . 1 . . . . . 31 GLU HG2 . 27596 1 273 . 1 1 31 31 GLU C C 13 177.989 0.000 . 1 . . . . . 31 GLU C . 27596 1 274 . 1 1 31 31 GLU CA C 13 58.189 0.057 . 1 . . . . . 31 GLU CA . 27596 1 275 . 1 1 31 31 GLU CB C 13 29.706 0.002 . 1 . . . . . 31 GLU CB . 27596 1 276 . 1 1 31 31 GLU CG C 13 35.969 0.000 . 1 . . . . . 31 GLU CG . 27596 1 277 . 1 1 31 31 GLU N N 15 120.465 0.005 . 1 . . . . . 31 GLU N . 27596 1 278 . 1 1 32 32 THR H H 1 8.188 0.003 . 1 . . . . . 32 THR H . 27596 1 279 . 1 1 32 32 THR HA H 1 4.091 0.000 . 1 . . . . . 32 THR HA . 27596 1 280 . 1 1 32 32 THR HB H 1 4.327 0.000 . 1 . . . . . 32 THR HB . 27596 1 281 . 1 1 32 32 THR HG21 H 1 1.262 0.000 . 1 . . . . . 32 THR HG21 . 27596 1 282 . 1 1 32 32 THR HG22 H 1 1.262 0.000 . 1 . . . . . 32 THR HG22 . 27596 1 283 . 1 1 32 32 THR HG23 H 1 1.262 0.000 . 1 . . . . . 32 THR HG23 . 27596 1 284 . 1 1 32 32 THR C C 13 175.989 0.001 . 1 . . . . . 32 THR C . 27596 1 285 . 1 1 32 32 THR CA C 13 64.749 0.023 . 1 . . . . . 32 THR CA . 27596 1 286 . 1 1 32 32 THR CB C 13 69.381 0.031 . 1 . . . . . 32 THR CB . 27596 1 287 . 1 1 32 32 THR CG2 C 13 21.647 0.000 . 1 . . . . . 32 THR CG2 . 27596 1 288 . 1 1 32 32 THR N N 15 115.086 0.025 . 1 . . . . . 32 THR N . 27596 1 289 . 1 1 33 33 GLU H H 1 8.160 0.001 . 1 . . . . . 33 GLU H . 27596 1 290 . 1 1 33 33 GLU HA H 1 4.179 0.000 . 1 . . . . . 33 GLU HA . 27596 1 291 . 1 1 33 33 GLU HB2 H 1 2.074 0.000 . 1 . . . . . 33 GLU HB2 . 27596 1 292 . 1 1 33 33 GLU C C 13 177.420 0.003 . 1 . . . . . 33 GLU C . 27596 1 293 . 1 1 33 33 GLU CA C 13 58.013 0.002 . 1 . . . . . 33 GLU CA . 27596 1 294 . 1 1 33 33 GLU CB C 13 30.015 0.001 . 1 . . . . . 33 GLU CB . 27596 1 295 . 1 1 33 33 GLU N N 15 122.515 0.016 . 1 . . . . . 33 GLU N . 27596 1 296 . 1 1 34 34 ARG H H 1 8.111 0.002 . 1 . . . . . 34 ARG H . 27596 1 297 . 1 1 34 34 ARG C C 13 177.656 0.002 . 1 . . . . . 34 ARG C . 27596 1 298 . 1 1 34 34 ARG CA C 13 57.624 0.004 . 1 . . . . . 34 ARG CA . 27596 1 299 . 1 1 34 34 ARG N N 15 121.198 0.025 . 1 . . . . . 34 ARG N . 27596 1 300 . 1 1 35 35 ARG H H 1 8.257 0.000 . 1 . . . . . 35 ARG H . 27596 1 301 . 1 1 35 35 ARG HA H 1 4.225 0.000 . 1 . . . . . 35 ARG HA . 27596 1 302 . 1 1 35 35 ARG HG2 H 1 1.769 0.000 . 2 . . . . . 35 ARG HG2 . 27596 1 303 . 1 1 35 35 ARG HG3 H 1 1.662 0.000 . 2 . . . . . 35 ARG HG3 . 27596 1 304 . 1 1 35 35 ARG HD2 H 1 3.229 0.000 . 1 . . . . . 35 ARG HD2 . 27596 1 305 . 1 1 35 35 ARG C C 13 177.369 0.006 . 1 . . . . . 35 ARG C . 27596 1 306 . 1 1 35 35 ARG CA C 13 57.425 0.005 . 1 . . . . . 35 ARG CA . 27596 1 307 . 1 1 35 35 ARG CG C 13 27.294 0.000 . 1 . . . . . 35 ARG CG . 27596 1 308 . 1 1 35 35 ARG CD C 13 43.425 0.000 . 1 . . . . . 35 ARG CD . 27596 1 309 . 1 1 35 35 ARG N N 15 120.983 0.007 . 1 . . . . . 35 ARG N . 27596 1 310 . 1 1 36 36 ALA H H 1 8.149 0.002 . 1 . . . . . 36 ALA H . 27596 1 311 . 1 1 36 36 ALA HA H 1 4.212 0.000 . 1 . . . . . 36 ALA HA . 27596 1 312 . 1 1 36 36 ALA HB1 H 1 1.461 0.000 . 1 . . . . . 36 ALA HB1 . 27596 1 313 . 1 1 36 36 ALA HB2 H 1 1.461 0.000 . 1 . . . . . 36 ALA HB2 . 27596 1 314 . 1 1 36 36 ALA HB3 H 1 1.461 0.000 . 1 . . . . . 36 ALA HB3 . 27596 1 315 . 1 1 36 36 ALA C C 13 178.741 0.006 . 1 . . . . . 36 ALA C . 27596 1 316 . 1 1 36 36 ALA CA C 13 54.008 0.026 . 1 . . . . . 36 ALA CA . 27596 1 317 . 1 1 36 36 ALA CB C 13 18.707 0.033 . 1 . . . . . 36 ALA CB . 27596 1 318 . 1 1 36 36 ALA N N 15 123.682 0.022 . 1 . . . . . 36 ALA N . 27596 1 319 . 1 1 37 37 ASP H H 1 8.166 0.002 . 1 . . . . . 37 ASP H . 27596 1 320 . 1 1 37 37 ASP HA H 1 4.526 0.000 . 1 . . . . . 37 ASP HA . 27596 1 321 . 1 1 37 37 ASP HB2 H 1 2.704 0.000 . 1 . . . . . 37 ASP HB2 . 27596 1 322 . 1 1 37 37 ASP C C 13 177.184 0.002 . 1 . . . . . 37 ASP C . 27596 1 323 . 1 1 37 37 ASP CA C 13 55.511 0.037 . 1 . . . . . 37 ASP CA . 27596 1 324 . 1 1 37 37 ASP CB C 13 41.038 0.032 . 1 . . . . . 37 ASP CB . 27596 1 325 . 1 1 37 37 ASP N N 15 118.410 0.022 . 1 . . . . . 37 ASP N . 27596 1 326 . 1 1 38 38 GLU H H 1 8.059 0.003 . 1 . . . . . 38 GLU H . 27596 1 327 . 1 1 38 38 GLU HA H 1 4.154 0.000 . 1 . . . . . 38 GLU HA . 27596 1 328 . 1 1 38 38 GLU HB2 H 1 2.079 0.000 . 1 . . . . . 38 GLU HB2 . 27596 1 329 . 1 1 38 38 GLU C C 13 177.507 0.005 . 1 . . . . . 38 GLU C . 27596 1 330 . 1 1 38 38 GLU CA C 13 57.989 0.024 . 1 . . . . . 38 GLU CA . 27596 1 331 . 1 1 38 38 GLU CB C 13 30.131 0.035 . 1 . . . . . 38 GLU CB . 27596 1 332 . 1 1 38 38 GLU N N 15 120.211 0.020 . 1 . . . . . 38 GLU N . 27596 1 333 . 1 1 39 39 ILE H H 1 7.904 0.002 . 1 . . . . . 39 ILE H . 27596 1 334 . 1 1 39 39 ILE HA H 1 3.961 0.000 . 1 . . . . . 39 ILE HA . 27596 1 335 . 1 1 39 39 ILE HB H 1 1.949 0.000 . 1 . . . . . 39 ILE HB . 27596 1 336 . 1 1 39 39 ILE HG12 H 1 1.583 0.000 . 2 . . . . . 39 ILE HG12 . 27596 1 337 . 1 1 39 39 ILE HG13 H 1 1.221 0.000 . 2 . . . . . 39 ILE HG13 . 27596 1 338 . 1 1 39 39 ILE HG21 H 1 0.913 0.000 . 1 . . . . . 39 ILE HG21 . 27596 1 339 . 1 1 39 39 ILE HG22 H 1 0.913 0.000 . 1 . . . . . 39 ILE HG22 . 27596 1 340 . 1 1 39 39 ILE HG23 H 1 0.913 0.000 . 1 . . . . . 39 ILE HG23 . 27596 1 341 . 1 1 39 39 ILE HD11 H 1 0.862 0.000 . 1 . . . . . 39 ILE HD11 . 27596 1 342 . 1 1 39 39 ILE HD12 H 1 0.862 0.000 . 1 . . . . . 39 ILE HD12 . 27596 1 343 . 1 1 39 39 ILE HD13 H 1 0.862 0.000 . 1 . . . . . 39 ILE HD13 . 27596 1 344 . 1 1 39 39 ILE C C 13 177.260 0.000 . 1 . . . . . 39 ILE C . 27596 1 345 . 1 1 39 39 ILE CA C 13 62.916 0.035 . 1 . . . . . 39 ILE CA . 27596 1 346 . 1 1 39 39 ILE CB C 13 38.203 0.037 . 1 . . . . . 39 ILE CB . 27596 1 347 . 1 1 39 39 ILE CG1 C 13 28.164 0.004 . 1 . . . . . 39 ILE CG1 . 27596 1 348 . 1 1 39 39 ILE CG2 C 13 17.429 0.005 . 1 . . . . . 39 ILE CG2 . 27596 1 349 . 1 1 39 39 ILE CD1 C 13 12.792 0.046 . 1 . . . . . 39 ILE CD1 . 27596 1 350 . 1 1 39 39 ILE N N 15 120.692 0.019 . 1 . . . . . 39 ILE N . 27596 1 351 . 1 1 40 40 VAL H H 1 7.874 0.002 . 1 . . . . . 40 VAL H . 27596 1 352 . 1 1 40 40 VAL HA H 1 3.913 0.000 . 1 . . . . . 40 VAL HA . 27596 1 353 . 1 1 40 40 VAL HB H 1 2.122 0.000 . 1 . . . . . 40 VAL HB . 27596 1 354 . 1 1 40 40 VAL HG11 H 1 0.939 0.000 . 2 . . . . . 40 VAL HG11 . 27596 1 355 . 1 1 40 40 VAL HG12 H 1 0.939 0.000 . 2 . . . . . 40 VAL HG12 . 27596 1 356 . 1 1 40 40 VAL HG13 H 1 0.939 0.000 . 2 . . . . . 40 VAL HG13 . 27596 1 357 . 1 1 40 40 VAL HG21 H 1 1.017 0.000 . 2 . . . . . 40 VAL HG21 . 27596 1 358 . 1 1 40 40 VAL HG22 H 1 1.017 0.000 . 2 . . . . . 40 VAL HG22 . 27596 1 359 . 1 1 40 40 VAL HG23 H 1 1.017 0.000 . 2 . . . . . 40 VAL HG23 . 27596 1 360 . 1 1 40 40 VAL C C 13 177.331 0.000 . 1 . . . . . 40 VAL C . 27596 1 361 . 1 1 40 40 VAL CA C 13 64.288 0.029 . 1 . . . . . 40 VAL CA . 27596 1 362 . 1 1 40 40 VAL CB C 13 32.115 0.000 . 1 . . . . . 40 VAL CB . 27596 1 363 . 1 1 40 40 VAL CG1 C 13 21.240 0.000 . 2 . . . . . 40 VAL CG1 . 27596 1 364 . 1 1 40 40 VAL CG2 C 13 21.594 0.000 . 2 . . . . . 40 VAL CG2 . 27596 1 365 . 1 1 40 40 VAL N N 15 122.370 0.037 . 1 . . . . . 40 VAL N . 27596 1 366 . 1 1 41 41 ARG H H 1 8.174 0.003 . 1 . . . . . 41 ARG H . 27596 1 367 . 1 1 41 41 ARG HA H 1 4.225 0.000 . 1 . . . . . 41 ARG HA . 27596 1 368 . 1 1 41 41 ARG HB2 H 1 1.835 0.000 . 1 . . . . . 41 ARG HB2 . 27596 1 369 . 1 1 41 41 ARG HG2 H 1 1.699 0.000 . 2 . . . . . 41 ARG HG2 . 27596 1 370 . 1 1 41 41 ARG HG3 H 1 1.597 0.000 . 2 . . . . . 41 ARG HG3 . 27596 1 371 . 1 1 41 41 ARG HD2 H 1 3.197 0.000 . 1 . . . . . 41 ARG HD2 . 27596 1 372 . 1 1 41 41 ARG C C 13 177.264 0.059 . 1 . . . . . 41 ARG C . 27596 1 373 . 1 1 41 41 ARG CA C 13 57.518 0.000 . 1 . . . . . 41 ARG CA . 27596 1 374 . 1 1 41 41 ARG CB C 13 30.633 0.006 . 1 . . . . . 41 ARG CB . 27596 1 375 . 1 1 41 41 ARG CG C 13 27.478 0.008 . 1 . . . . . 41 ARG CG . 27596 1 376 . 1 1 41 41 ARG N N 15 122.973 0.038 . 1 . . . . . 41 ARG N . 27596 1 377 . 1 1 42 42 LYS H H 1 8.163 0.003 . 1 . . . . . 42 LYS H . 27596 1 378 . 1 1 42 42 LYS HA H 1 4.224 0.000 . 1 . . . . . 42 LYS HA . 27596 1 379 . 1 1 42 42 LYS HB2 H 1 1.844 0.000 . 1 . . . . . 42 LYS HB2 . 27596 1 380 . 1 1 42 42 LYS HG2 H 1 1.500 0.000 . 1 . . . . . 42 LYS HG2 . 27596 1 381 . 1 1 42 42 LYS HD2 H 1 1.682 0.000 . 1 . . . . . 42 LYS HD2 . 27596 1 382 . 1 1 42 42 LYS C C 13 177.506 0.002 . 1 . . . . . 42 LYS C . 27596 1 383 . 1 1 42 42 LYS CA C 13 57.304 0.000 . 1 . . . . . 42 LYS CA . 27596 1 384 . 1 1 42 42 LYS CB C 13 32.799 0.016 . 1 . . . . . 42 LYS CB . 27596 1 385 . 1 1 42 42 LYS CG C 13 24.754 0.000 . 1 . . . . . 42 LYS CG . 27596 1 386 . 1 1 42 42 LYS CD C 13 29.076 0.000 . 1 . . . . . 42 LYS CD . 27596 1 387 . 1 1 42 42 LYS N N 15 121.284 0.008 . 1 . . . . . 42 LYS N . 27596 1 388 . 1 1 43 43 MET H H 1 8.208 0.002 . 1 . . . . . 43 MET H . 27596 1 389 . 1 1 43 43 MET HA H 1 4.385 0.000 . 1 . . . . . 43 MET HA . 27596 1 390 . 1 1 43 43 MET HB2 H 1 2.113 0.000 . 1 . . . . . 43 MET HB2 . 27596 1 391 . 1 1 43 43 MET HG2 H 1 2.704 0.000 . 2 . . . . . 43 MET HG2 . 27596 1 392 . 1 1 43 43 MET HG3 H 1 2.592 0.000 . 2 . . . . . 43 MET HG3 . 27596 1 393 . 1 1 43 43 MET C C 13 176.543 0.004 . 1 . . . . . 43 MET C . 27596 1 394 . 1 1 43 43 MET CA C 13 56.307 0.014 . 1 . . . . . 43 MET CA . 27596 1 395 . 1 1 43 43 MET CB C 13 32.809 0.004 . 1 . . . . . 43 MET CB . 27596 1 396 . 1 1 43 43 MET CG C 13 32.101 0.010 . 1 . . . . . 43 MET CG . 27596 1 397 . 1 1 43 43 MET N N 15 120.487 0.054 . 1 . . . . . 43 MET N . 27596 1 398 . 1 1 44 44 ALA H H 1 8.053 0.002 . 1 . . . . . 44 ALA H . 27596 1 399 . 1 1 44 44 ALA HA H 1 4.304 0.000 . 1 . . . . . 44 ALA HA . 27596 1 400 . 1 1 44 44 ALA HB1 H 1 1.427 0.000 . 1 . . . . . 44 ALA HB1 . 27596 1 401 . 1 1 44 44 ALA HB2 H 1 1.427 0.000 . 1 . . . . . 44 ALA HB2 . 27596 1 402 . 1 1 44 44 ALA HB3 H 1 1.427 0.000 . 1 . . . . . 44 ALA HB3 . 27596 1 403 . 1 1 44 44 ALA C C 13 177.857 0.002 . 1 . . . . . 44 ALA C . 27596 1 404 . 1 1 44 44 ALA CA C 13 52.977 0.017 . 1 . . . . . 44 ALA CA . 27596 1 405 . 1 1 44 44 ALA CB C 13 19.176 0.010 . 1 . . . . . 44 ALA CB . 27596 1 406 . 1 1 44 44 ALA N N 15 123.766 0.038 . 1 . . . . . 44 ALA N . 27596 1 407 . 1 1 45 45 GLU H H 1 8.129 0.003 . 1 . . . . . 45 GLU H . 27596 1 408 . 1 1 45 45 GLU HA H 1 4.201 0.000 . 1 . . . . . 45 GLU HA . 27596 1 409 . 1 1 45 45 GLU HB2 H 1 1.942 0.000 . 1 . . . . . 45 GLU HB2 . 27596 1 410 . 1 1 45 45 GLU HG2 H 1 2.330 0.000 . 2 . . . . . 45 GLU HG2 . 27596 1 411 . 1 1 45 45 GLU HG3 H 1 2.238 0.000 . 2 . . . . . 45 GLU HG3 . 27596 1 412 . 1 1 45 45 GLU C C 13 176.253 0.002 . 1 . . . . . 45 GLU C . 27596 1 413 . 1 1 45 45 GLU CA C 13 56.777 0.021 . 1 . . . . . 45 GLU CA . 27596 1 414 . 1 1 45 45 GLU CB C 13 30.502 0.000 . 1 . . . . . 45 GLU CB . 27596 1 415 . 1 1 45 45 GLU CG C 13 36.404 0.003 . 1 . . . . . 45 GLU CG . 27596 1 416 . 1 1 45 45 GLU N N 15 119.230 0.016 . 1 . . . . . 45 GLU N . 27596 1 417 . 1 1 46 46 ASN H H 1 8.284 0.003 . 1 . . . . . 46 ASN H . 27596 1 418 . 1 1 46 46 ASN HA H 1 4.689 0.000 . 1 . . . . . 46 ASN HA . 27596 1 419 . 1 1 46 46 ASN HB2 H 1 2.815 0.000 . 2 . . . . . 46 ASN HB2 . 27596 1 420 . 1 1 46 46 ASN HB3 H 1 2.727 0.000 . 2 . . . . . 46 ASN HB3 . 27596 1 421 . 1 1 46 46 ASN C C 13 174.608 0.003 . 1 . . . . . 46 ASN C . 27596 1 422 . 1 1 46 46 ASN CA C 13 53.257 0.015 . 1 . . . . . 46 ASN CA . 27596 1 423 . 1 1 46 46 ASN CB C 13 39.078 0.002 . 1 . . . . . 46 ASN CB . 27596 1 424 . 1 1 46 46 ASN N N 15 119.546 0.042 . 1 . . . . . 46 ASN N . 27596 1 425 . 1 1 47 47 LYS H H 1 8.218 0.002 . 1 . . . . . 47 LYS H . 27596 1 426 . 1 1 47 47 LYS HA H 1 4.624 0.000 . 1 . . . . . 47 LYS HA . 27596 1 427 . 1 1 47 47 LYS HB2 H 1 1.732 0.000 . 2 . . . . . 47 LYS HB2 . 27596 1 428 . 1 1 47 47 LYS HB3 H 1 1.837 0.000 . 2 . . . . . 47 LYS HB3 . 27596 1 429 . 1 1 47 47 LYS HG2 H 1 1.430 0.000 . 1 . . . . . 47 LYS HG2 . 27596 1 430 . 1 1 47 47 LYS HD2 H 1 1.698 0.000 . 1 . . . . . 47 LYS HD2 . 27596 1 431 . 1 1 47 47 LYS HE2 H 1 2.995 0.000 . 1 . . . . . 47 LYS HE2 . 27596 1 432 . 1 1 47 47 LYS C C 13 174.376 0.000 . 1 . . . . . 47 LYS C . 27596 1 433 . 1 1 47 47 LYS CA C 13 54.384 0.001 . 1 . . . . . 47 LYS CA . 27596 1 434 . 1 1 47 47 LYS CB C 13 32.672 0.002 . 1 . . . . . 47 LYS CB . 27596 1 435 . 1 1 47 47 LYS CG C 13 24.713 0.000 . 1 . . . . . 47 LYS CG . 27596 1 436 . 1 1 47 47 LYS CD C 13 29.125 0.000 . 1 . . . . . 47 LYS CD . 27596 1 437 . 1 1 47 47 LYS CE C 13 42.144 0.000 . 1 . . . . . 47 LYS CE . 27596 1 438 . 1 1 47 47 LYS N N 15 123.071 0.031 . 1 . . . . . 47 LYS N . 27596 1 439 . 1 1 48 48 PRO HA H 1 4.431 0.000 . 1 . . . . . 48 PRO HA . 27596 1 440 . 1 1 48 48 PRO HB2 H 1 2.278 0.000 . 2 . . . . . 48 PRO HB2 . 27596 1 441 . 1 1 48 48 PRO HB3 H 1 1.910 0.000 . 2 . . . . . 48 PRO HB3 . 27596 1 442 . 1 1 48 48 PRO HG2 H 1 2.005 0.000 . 1 . . . . . 48 PRO HG2 . 27596 1 443 . 1 1 48 48 PRO HD2 H 1 3.772 0.000 . 2 . . . . . 48 PRO HD2 . 27596 1 444 . 1 1 48 48 PRO HD3 H 1 3.656 0.000 . 2 . . . . . 48 PRO HD3 . 27596 1 445 . 1 1 48 48 PRO C C 13 176.450 0.000 . 1 . . . . . 48 PRO C . 27596 1 446 . 1 1 48 48 PRO CA C 13 63.201 0.017 . 1 . . . . . 48 PRO CA . 27596 1 447 . 1 1 48 48 PRO CB C 13 32.121 0.036 . 1 . . . . . 48 PRO CB . 27596 1 448 . 1 1 48 48 PRO CG C 13 27.239 0.000 . 1 . . . . . 48 PRO CG . 27596 1 449 . 1 1 48 48 PRO CD C 13 50.602 0.003 . 1 . . . . . 48 PRO CD . 27596 1 450 . 1 1 49 49 ASP H H 1 8.382 0.002 . 1 . . . . . 49 ASP H . 27596 1 451 . 1 1 49 49 ASP HA H 1 4.558 0.000 . 1 . . . . . 49 ASP HA . 27596 1 452 . 1 1 49 49 ASP HB2 H 1 2.665 0.000 . 2 . . . . . 49 ASP HB2 . 27596 1 453 . 1 1 49 49 ASP HB3 H 1 2.542 0.000 . 2 . . . . . 49 ASP HB3 . 27596 1 454 . 1 1 49 49 ASP C C 13 175.716 0.036 . 1 . . . . . 49 ASP C . 27596 1 455 . 1 1 49 49 ASP CA C 13 54.335 0.052 . 1 . . . . . 49 ASP CA . 27596 1 456 . 1 1 49 49 ASP CB C 13 41.123 0.082 . 1 . . . . . 49 ASP CB . 27596 1 457 . 1 1 49 49 ASP N N 15 120.551 0.014 . 1 . . . . . 49 ASP N . 27596 1 458 . 1 1 50 50 LEU H H 1 8.073 0.002 . 1 . . . . . 50 LEU H . 27596 1 459 . 1 1 50 50 LEU HA H 1 4.654 0.000 . 1 . . . . . 50 LEU HA . 27596 1 460 . 1 1 50 50 LEU HB2 H 1 1.595 0.000 . 1 . . . . . 50 LEU HB2 . 27596 1 461 . 1 1 50 50 LEU HG H 1 1.627 0.000 . 1 . . . . . 50 LEU HG . 27596 1 462 . 1 1 50 50 LEU HD11 H 1 0.920 0.000 . 2 . . . . . 50 LEU HD11 . 27596 1 463 . 1 1 50 50 LEU HD12 H 1 0.920 0.000 . 2 . . . . . 50 LEU HD12 . 27596 1 464 . 1 1 50 50 LEU HD13 H 1 0.920 0.000 . 2 . . . . . 50 LEU HD13 . 27596 1 465 . 1 1 50 50 LEU HD21 H 1 0.860 0.000 . 2 . . . . . 50 LEU HD21 . 27596 1 466 . 1 1 50 50 LEU HD22 H 1 0.860 0.000 . 2 . . . . . 50 LEU HD22 . 27596 1 467 . 1 1 50 50 LEU HD23 H 1 0.860 0.000 . 2 . . . . . 50 LEU HD23 . 27596 1 468 . 1 1 50 50 LEU C C 13 175.336 0.000 . 1 . . . . . 50 LEU C . 27596 1 469 . 1 1 50 50 LEU CA C 13 52.830 0.013 . 1 . . . . . 50 LEU CA . 27596 1 470 . 1 1 50 50 LEU CB C 13 42.264 0.000 . 1 . . . . . 50 LEU CB . 27596 1 471 . 1 1 50 50 LEU CG C 13 26.878 0.000 . 1 . . . . . 50 LEU CG . 27596 1 472 . 1 1 50 50 LEU CD1 C 13 25.232 0.000 . 2 . . . . . 50 LEU CD1 . 27596 1 473 . 1 1 50 50 LEU CD2 C 13 23.483 0.000 . 2 . . . . . 50 LEU CD2 . 27596 1 474 . 1 1 50 50 LEU N N 15 123.399 0.016 . 1 . . . . . 50 LEU N . 27596 1 475 . 1 1 51 51 PRO HA H 1 4.421 0.000 . 1 . . . . . 51 PRO HA . 27596 1 476 . 1 1 51 51 PRO HB2 H 1 2.287 0.000 . 2 . . . . . 51 PRO HB2 . 27596 1 477 . 1 1 51 51 PRO HB3 H 1 1.928 0.000 . 2 . . . . . 51 PRO HB3 . 27596 1 478 . 1 1 51 51 PRO HG2 H 1 2.021 0.000 . 1 . . . . . 51 PRO HG2 . 27596 1 479 . 1 1 51 51 PRO HD2 H 1 3.647 0.000 . 2 . . . . . 51 PRO HD2 . 27596 1 480 . 1 1 51 51 PRO HD3 H 1 3.814 0.000 . 2 . . . . . 51 PRO HD3 . 27596 1 481 . 1 1 51 51 PRO C C 13 176.844 0.000 . 1 . . . . . 51 PRO C . 27596 1 482 . 1 1 51 51 PRO CA C 13 63.392 0.021 . 1 . . . . . 51 PRO CA . 27596 1 483 . 1 1 51 51 PRO CB C 13 32.047 0.026 . 1 . . . . . 51 PRO CB . 27596 1 484 . 1 1 51 51 PRO CG C 13 27.319 0.000 . 1 . . . . . 51 PRO CG . 27596 1 485 . 1 1 51 51 PRO CD C 13 50.646 0.000 . 1 . . . . . 51 PRO CD . 27596 1 486 . 1 1 52 52 ASP H H 1 8.349 0.001 . 1 . . . . . 52 ASP H . 27596 1 487 . 1 1 52 52 ASP HA H 1 4.545 0.000 . 1 . . . . . 52 ASP HA . 27596 1 488 . 1 1 52 52 ASP HB2 H 1 2.690 0.000 . 1 . . . . . 52 ASP HB2 . 27596 1 489 . 1 1 52 52 ASP C C 13 176.986 0.003 . 1 . . . . . 52 ASP C . 27596 1 490 . 1 1 52 52 ASP CA C 13 54.467 0.015 . 1 . . . . . 52 ASP CA . 27596 1 491 . 1 1 52 52 ASP CB C 13 41.266 0.000 . 1 . . . . . 52 ASP CB . 27596 1 492 . 1 1 52 52 ASP N N 15 120.054 0.024 . 1 . . . . . 52 ASP N . 27596 1 493 . 1 1 53 53 GLY H H 1 8.321 0.002 . 1 . . . . . 53 GLY H . 27596 1 494 . 1 1 53 53 GLY HA2 H 1 3.949 0.000 . 1 . . . . . 53 GLY HA2 . 27596 1 495 . 1 1 53 53 GLY C C 13 174.440 0.002 . 1 . . . . . 53 GLY C . 27596 1 496 . 1 1 53 53 GLY CA C 13 45.734 0.002 . 1 . . . . . 53 GLY CA . 27596 1 497 . 1 1 53 53 GLY N N 15 109.352 0.015 . 1 . . . . . 53 GLY N . 27596 1 498 . 1 1 54 54 LYS H H 1 8.158 0.001 . 1 . . . . . 54 LYS H . 27596 1 499 . 1 1 54 54 LYS HA H 1 4.385 0.000 . 1 . . . . . 54 LYS HA . 27596 1 500 . 1 1 54 54 LYS HB2 H 1 1.794 0.000 . 2 . . . . . 54 LYS HB2 . 27596 1 501 . 1 1 54 54 LYS HB3 H 1 1.857 0.000 . 2 . . . . . 54 LYS HB3 . 27596 1 502 . 1 1 54 54 LYS HG2 H 1 1.428 0.000 . 1 . . . . . 54 LYS HG2 . 27596 1 503 . 1 1 54 54 LYS HE2 H 1 2.998 0.000 . 1 . . . . . 54 LYS HE2 . 27596 1 504 . 1 1 54 54 LYS C C 13 176.913 0.000 . 1 . . . . . 54 LYS C . 27596 1 505 . 1 1 54 54 LYS CA C 13 56.535 0.022 . 1 . . . . . 54 LYS CA . 27596 1 506 . 1 1 54 54 LYS CB C 13 33.051 0.012 . 1 . . . . . 54 LYS CB . 27596 1 507 . 1 1 54 54 LYS CG C 13 24.895 0.000 . 1 . . . . . 54 LYS CG . 27596 1 508 . 1 1 54 54 LYS CE C 13 42.216 0.000 . 1 . . . . . 54 LYS CE . 27596 1 509 . 1 1 54 54 LYS N N 15 120.644 0.029 . 1 . . . . . 54 LYS N . 27596 1 510 . 1 1 55 55 THR H H 1 8.180 0.005 . 1 . . . . . 55 THR H . 27596 1 511 . 1 1 55 55 THR HA H 1 4.312 0.000 . 1 . . . . . 55 THR HA . 27596 1 512 . 1 1 55 55 THR HB H 1 4.203 0.000 . 1 . . . . . 55 THR HB . 27596 1 513 . 1 1 55 55 THR HG21 H 1 1.203 0.000 . 1 . . . . . 55 THR HG21 . 27596 1 514 . 1 1 55 55 THR HG22 H 1 1.203 0.000 . 1 . . . . . 55 THR HG22 . 27596 1 515 . 1 1 55 55 THR HG23 H 1 1.203 0.000 . 1 . . . . . 55 THR HG23 . 27596 1 516 . 1 1 55 55 THR C C 13 174.598 0.007 . 1 . . . . . 55 THR C . 27596 1 517 . 1 1 55 55 THR CA C 13 62.387 0.029 . 1 . . . . . 55 THR CA . 27596 1 518 . 1 1 55 55 THR CB C 13 69.898 0.008 . 1 . . . . . 55 THR CB . 27596 1 519 . 1 1 55 55 THR CG2 C 13 21.669 0.000 . 1 . . . . . 55 THR CG2 . 27596 1 520 . 1 1 55 55 THR N N 15 115.463 0.022 . 1 . . . . . 55 THR N . 27596 1 521 . 1 1 56 56 GLU H H 1 8.454 0.002 . 1 . . . . . 56 GLU H . 27596 1 522 . 1 1 56 56 GLU HA H 1 4.303 0.000 . 1 . . . . . 56 GLU HA . 27596 1 523 . 1 1 56 56 GLU HB2 H 1 2.053 0.000 . 2 . . . . . 56 GLU HB2 . 27596 1 524 . 1 1 56 56 GLU HB3 H 1 1.948 0.000 . 2 . . . . . 56 GLU HB3 . 27596 1 525 . 1 1 56 56 GLU HG2 H 1 2.244 0.000 . 1 . . . . . 56 GLU HG2 . 27596 1 526 . 1 1 56 56 GLU C C 13 176.314 0.001 . 1 . . . . . 56 GLU C . 27596 1 527 . 1 1 56 56 GLU CA C 13 56.700 0.021 . 1 . . . . . 56 GLU CA . 27596 1 528 . 1 1 56 56 GLU CB C 13 30.306 0.004 . 1 . . . . . 56 GLU CB . 27596 1 529 . 1 1 56 56 GLU CG C 13 36.235 0.000 . 1 . . . . . 56 GLU CG . 27596 1 530 . 1 1 56 56 GLU N N 15 123.470 0.015 . 1 . . . . . 56 GLU N . 27596 1 531 . 1 1 57 57 LEU H H 1 8.180 0.001 . 1 . . . . . 57 LEU H . 27596 1 532 . 1 1 57 57 LEU HA H 1 4.297 0.000 . 1 . . . . . 57 LEU HA . 27596 1 533 . 1 1 57 57 LEU HB2 H 1 1.615 0.000 . 1 . . . . . 57 LEU HB2 . 27596 1 534 . 1 1 57 57 LEU HD11 H 1 0.869 0.000 . 2 . . . . . 57 LEU HD11 . 27596 1 535 . 1 1 57 57 LEU HD12 H 1 0.869 0.000 . 2 . . . . . 57 LEU HD12 . 27596 1 536 . 1 1 57 57 LEU HD13 H 1 0.869 0.000 . 2 . . . . . 57 LEU HD13 . 27596 1 537 . 1 1 57 57 LEU HD21 H 1 0.921 0.000 . 2 . . . . . 57 LEU HD21 . 27596 1 538 . 1 1 57 57 LEU HD22 H 1 0.921 0.000 . 2 . . . . . 57 LEU HD22 . 27596 1 539 . 1 1 57 57 LEU HD23 H 1 0.921 0.000 . 2 . . . . . 57 LEU HD23 . 27596 1 540 . 1 1 57 57 LEU C C 13 177.051 0.002 . 1 . . . . . 57 LEU C . 27596 1 541 . 1 1 57 57 LEU CA C 13 55.306 0.012 . 1 . . . . . 57 LEU CA . 27596 1 542 . 1 1 57 57 LEU CB C 13 42.434 0.035 . 1 . . . . . 57 LEU CB . 27596 1 543 . 1 1 57 57 LEU CD1 C 13 23.585 0.000 . 2 . . . . . 57 LEU CD1 . 27596 1 544 . 1 1 57 57 LEU CD2 C 13 24.865 0.000 . 2 . . . . . 57 LEU CD2 . 27596 1 545 . 1 1 57 57 LEU N N 15 123.229 0.007 . 1 . . . . . 57 LEU N . 27596 1 546 . 1 1 58 58 ALA H H 1 8.191 0.023 . 1 . . . . . 58 ALA H . 27596 1 547 . 1 1 58 58 ALA HA H 1 4.331 0.000 . 1 . . . . . 58 ALA HA . 27596 1 548 . 1 1 58 58 ALA HB1 H 1 1.377 0.000 . 1 . . . . . 58 ALA HB1 . 27596 1 549 . 1 1 58 58 ALA HB2 H 1 1.377 0.000 . 1 . . . . . 58 ALA HB2 . 27596 1 550 . 1 1 58 58 ALA HB3 H 1 1.377 0.000 . 1 . . . . . 58 ALA HB3 . 27596 1 551 . 1 1 58 58 ALA C C 13 177.706 0.000 . 1 . . . . . 58 ALA C . 27596 1 552 . 1 1 58 58 ALA CA C 13 52.547 0.044 . 1 . . . . . 58 ALA CA . 27596 1 553 . 1 1 58 58 ALA CB C 13 19.185 0.003 . 1 . . . . . 58 ALA CB . 27596 1 554 . 1 1 58 58 ALA N N 15 124.663 0.165 . 1 . . . . . 58 ALA N . 27596 1 555 . 1 1 59 59 VAL H H 1 8.002 0.002 . 1 . . . . . 59 VAL H . 27596 1 556 . 1 1 59 59 VAL HA H 1 4.057 0.000 . 1 . . . . . 59 VAL HA . 27596 1 557 . 1 1 59 59 VAL HB H 1 2.066 0.000 . 1 . . . . . 59 VAL HB . 27596 1 558 . 1 1 59 59 VAL HG11 H 1 0.938 0.000 . 1 . . . . . 59 VAL HG11 . 27596 1 559 . 1 1 59 59 VAL HG12 H 1 0.938 0.000 . 1 . . . . . 59 VAL HG12 . 27596 1 560 . 1 1 59 59 VAL HG13 H 1 0.938 0.000 . 1 . . . . . 59 VAL HG13 . 27596 1 561 . 1 1 59 59 VAL HG21 H 1 0.938 0.000 . 1 . . . . . 59 VAL HG21 . 27596 1 562 . 1 1 59 59 VAL HG22 H 1 0.938 0.000 . 1 . . . . . 59 VAL HG22 . 27596 1 563 . 1 1 59 59 VAL HG23 H 1 0.938 0.000 . 1 . . . . . 59 VAL HG23 . 27596 1 564 . 1 1 59 59 VAL C C 13 176.216 0.000 . 1 . . . . . 59 VAL C . 27596 1 565 . 1 1 59 59 VAL CA C 13 62.607 0.028 . 1 . . . . . 59 VAL CA . 27596 1 566 . 1 1 59 59 VAL CB C 13 32.657 0.000 . 1 . . . . . 59 VAL CB . 27596 1 567 . 1 1 59 59 VAL CG1 C 13 20.716 0.000 . 2 . . . . . 59 VAL CG1 . 27596 1 568 . 1 1 59 59 VAL CG2 C 13 21.212 0.000 . 2 . . . . . 59 VAL CG2 . 27596 1 569 . 1 1 59 59 VAL N N 15 119.299 0.018 . 1 . . . . . 59 VAL N . 27596 1 570 . 1 1 60 60 ARG H H 1 8.271 0.002 . 1 . . . . . 60 ARG H . 27596 1 571 . 1 1 60 60 ARG HA H 1 4.345 0.000 . 1 . . . . . 60 ARG HA . 27596 1 572 . 1 1 60 60 ARG HB2 H 1 1.820 0.000 . 2 . . . . . 60 ARG HB2 . 27596 1 573 . 1 1 60 60 ARG HB3 H 1 1.759 0.000 . 2 . . . . . 60 ARG HB3 . 27596 1 574 . 1 1 60 60 ARG HG2 H 1 1.612 0.000 . 1 . . . . . 60 ARG HG2 . 27596 1 575 . 1 1 60 60 ARG HD2 H 1 3.183 0.000 . 1 . . . . . 60 ARG HD2 . 27596 1 576 . 1 1 60 60 ARG C C 13 175.869 0.001 . 1 . . . . . 60 ARG C . 27596 1 577 . 1 1 60 60 ARG CA C 13 56.144 0.016 . 1 . . . . . 60 ARG CA . 27596 1 578 . 1 1 60 60 ARG CB C 13 31.080 0.045 . 1 . . . . . 60 ARG CB . 27596 1 579 . 1 1 60 60 ARG CG C 13 27.179 0.000 . 1 . . . . . 60 ARG CG . 27596 1 580 . 1 1 60 60 ARG CD C 13 43.370 0.000 . 1 . . . . . 60 ARG CD . 27596 1 581 . 1 1 60 60 ARG N N 15 124.228 0.022 . 1 . . . . . 60 ARG N . 27596 1 582 . 1 1 61 61 ASP H H 1 8.299 0.002 . 1 . . . . . 61 ASP H . 27596 1 583 . 1 1 61 61 ASP HA H 1 4.611 0.000 . 1 . . . . . 61 ASP HA . 27596 1 584 . 1 1 61 61 ASP HB2 H 1 2.709 0.000 . 2 . . . . . 61 ASP HB2 . 27596 1 585 . 1 1 61 61 ASP HB3 H 1 2.592 0.000 . 2 . . . . . 61 ASP HB3 . 27596 1 586 . 1 1 61 61 ASP C C 13 176.311 0.004 . 1 . . . . . 61 ASP C . 27596 1 587 . 1 1 61 61 ASP CA C 13 54.381 0.025 . 1 . . . . . 61 ASP CA . 27596 1 588 . 1 1 61 61 ASP CB C 13 41.299 0.006 . 1 . . . . . 61 ASP CB . 27596 1 589 . 1 1 61 61 ASP N N 15 121.824 0.026 . 1 . . . . . 61 ASP N . 27596 1 590 . 1 1 62 62 ILE H H 1 8.045 0.002 . 1 . . . . . 62 ILE H . 27596 1 591 . 1 1 62 62 ILE HA H 1 4.111 0.000 . 1 . . . . . 62 ILE HA . 27596 1 592 . 1 1 62 62 ILE HB H 1 1.878 0.000 . 1 . . . . . 62 ILE HB . 27596 1 593 . 1 1 62 62 ILE HG12 H 1 1.178 0.000 . 2 . . . . . 62 ILE HG12 . 27596 1 594 . 1 1 62 62 ILE HG13 H 1 1.448 0.000 . 2 . . . . . 62 ILE HG13 . 27596 1 595 . 1 1 62 62 ILE HG21 H 1 0.916 0.000 . 1 . . . . . 62 ILE HG21 . 27596 1 596 . 1 1 62 62 ILE HG22 H 1 0.916 0.000 . 1 . . . . . 62 ILE HG22 . 27596 1 597 . 1 1 62 62 ILE HG23 H 1 0.916 0.000 . 1 . . . . . 62 ILE HG23 . 27596 1 598 . 1 1 62 62 ILE HD11 H 1 0.862 0.000 . 1 . . . . . 62 ILE HD11 . 27596 1 599 . 1 1 62 62 ILE HD12 H 1 0.862 0.000 . 1 . . . . . 62 ILE HD12 . 27596 1 600 . 1 1 62 62 ILE HD13 H 1 0.862 0.000 . 1 . . . . . 62 ILE HD13 . 27596 1 601 . 1 1 62 62 ILE C C 13 176.296 0.000 . 1 . . . . . 62 ILE C . 27596 1 602 . 1 1 62 62 ILE CA C 13 61.628 0.024 . 1 . . . . . 62 ILE CA . 27596 1 603 . 1 1 62 62 ILE CB C 13 38.783 0.015 . 1 . . . . . 62 ILE CB . 27596 1 604 . 1 1 62 62 ILE CG1 C 13 27.323 0.036 . 1 . . . . . 62 ILE CG1 . 27596 1 605 . 1 1 62 62 ILE CG2 C 13 17.583 0.000 . 1 . . . . . 62 ILE CG2 . 27596 1 606 . 1 1 62 62 ILE CD1 C 13 13.087 0.000 . 1 . . . . . 62 ILE CD1 . 27596 1 607 . 1 1 62 62 ILE N N 15 121.289 0.010 . 1 . . . . . 62 ILE N . 27596 1 608 . 1 1 63 63 ALA H H 1 8.311 0.003 . 1 . . . . . 63 ALA H . 27596 1 609 . 1 1 63 63 ALA HA H 1 4.316 0.000 . 1 . . . . . 63 ALA HA . 27596 1 610 . 1 1 63 63 ALA HB1 H 1 1.414 0.000 . 1 . . . . . 63 ALA HB1 . 27596 1 611 . 1 1 63 63 ALA HB2 H 1 1.414 0.000 . 1 . . . . . 63 ALA HB2 . 27596 1 612 . 1 1 63 63 ALA HB3 H 1 1.414 0.000 . 1 . . . . . 63 ALA HB3 . 27596 1 613 . 1 1 63 63 ALA C C 13 178.605 0.000 . 1 . . . . . 63 ALA C . 27596 1 614 . 1 1 63 63 ALA CA C 13 53.084 0.042 . 1 . . . . . 63 ALA CA . 27596 1 615 . 1 1 63 63 ALA CB C 13 19.032 0.006 . 1 . . . . . 63 ALA CB . 27596 1 616 . 1 1 63 63 ALA N N 15 127.024 0.028 . 1 . . . . . 63 ALA N . 27596 1 617 . 1 1 64 64 GLY H H 1 8.353 0.003 . 1 . . . . . 64 GLY H . 27596 1 618 . 1 1 64 64 GLY HA2 H 1 3.946 0.000 . 1 . . . . . 64 GLY HA2 . 27596 1 619 . 1 1 64 64 GLY C C 13 174.571 0.002 . 1 . . . . . 64 GLY C . 27596 1 620 . 1 1 64 64 GLY CA C 13 45.657 0.043 . 1 . . . . . 64 GLY CA . 27596 1 621 . 1 1 64 64 GLY N N 15 108.361 0.022 . 1 . . . . . 64 GLY N . 27596 1 622 . 1 1 65 65 GLN H H 1 8.165 0.004 . 1 . . . . . 65 GLN H . 27596 1 623 . 1 1 65 65 GLN HA H 1 4.335 0.000 . 1 . . . . . 65 GLN HA . 27596 1 624 . 1 1 65 65 GLN HB2 H 1 1.996 0.000 . 2 . . . . . 65 GLN HB2 . 27596 1 625 . 1 1 65 65 GLN HB3 H 1 2.140 0.000 . 2 . . . . . 65 GLN HB3 . 27596 1 626 . 1 1 65 65 GLN HG2 H 1 2.355 0.000 . 1 . . . . . 65 GLN HG2 . 27596 1 627 . 1 1 65 65 GLN C C 13 176.378 0.005 . 1 . . . . . 65 GLN C . 27596 1 628 . 1 1 65 65 GLN CA C 13 56.147 0.024 . 1 . . . . . 65 GLN CA . 27596 1 629 . 1 1 65 65 GLN CB C 13 29.473 0.042 . 1 . . . . . 65 GLN CB . 27596 1 630 . 1 1 65 65 GLN CG C 13 33.931 0.000 . 1 . . . . . 65 GLN CG . 27596 1 631 . 1 1 65 65 GLN N N 15 119.696 0.007 . 1 . . . . . 65 GLN N . 27596 1 632 . 1 1 66 66 GLU H H 1 8.543 0.004 . 1 . . . . . 66 GLU H . 27596 1 633 . 1 1 66 66 GLU HA H 1 4.240 0.000 . 1 . . . . . 66 GLU HA . 27596 1 634 . 1 1 66 66 GLU HB2 H 1 2.049 0.000 . 2 . . . . . 66 GLU HB2 . 27596 1 635 . 1 1 66 66 GLU HB3 H 1 1.965 0.000 . 2 . . . . . 66 GLU HB3 . 27596 1 636 . 1 1 66 66 GLU HG2 H 1 2.283 0.000 . 1 . . . . . 66 GLU HG2 . 27596 1 637 . 1 1 66 66 GLU C C 13 176.889 0.003 . 1 . . . . . 66 GLU C . 27596 1 638 . 1 1 66 66 GLU CA C 13 57.229 0.038 . 1 . . . . . 66 GLU CA . 27596 1 639 . 1 1 66 66 GLU CB C 13 29.927 0.047 . 1 . . . . . 66 GLU CB . 27596 1 640 . 1 1 66 66 GLU CG C 13 36.326 0.000 . 1 . . . . . 66 GLU CG . 27596 1 641 . 1 1 66 66 GLU N N 15 121.894 0.017 . 1 . . . . . 66 GLU N . 27596 1 642 . 1 1 67 67 ARG H H 1 8.257 0.003 . 1 . . . . . 67 ARG H . 27596 1 643 . 1 1 67 67 ARG HA H 1 4.274 0.000 . 1 . . . . . 67 ARG HA . 27596 1 644 . 1 1 67 67 ARG HB2 H 1 1.844 0.000 . 1 . . . . . 67 ARG HB2 . 27596 1 645 . 1 1 67 67 ARG HG2 H 1 1.637 0.000 . 1 . . . . . 67 ARG HG2 . 27596 1 646 . 1 1 67 67 ARG HD2 H 1 3.198 0.000 . 1 . . . . . 67 ARG HD2 . 27596 1 647 . 1 1 67 67 ARG C C 13 176.245 0.005 . 1 . . . . . 67 ARG C . 27596 1 648 . 1 1 67 67 ARG CA C 13 56.569 0.012 . 1 . . . . . 67 ARG CA . 27596 1 649 . 1 1 67 67 ARG CB C 13 30.865 0.021 . 1 . . . . . 67 ARG CB . 27596 1 650 . 1 1 67 67 ARG CG C 13 27.057 0.000 . 1 . . . . . 67 ARG CG . 27596 1 651 . 1 1 67 67 ARG CD C 13 43.428 0.000 . 1 . . . . . 67 ARG CD . 27596 1 652 . 1 1 67 67 ARG N N 15 121.649 0.031 . 1 . . . . . 67 ARG N . 27596 1 653 . 1 1 68 68 ASP H H 1 8.316 0.002 . 1 . . . . . 68 ASP H . 27596 1 654 . 1 1 68 68 ASP HA H 1 4.570 0.000 . 1 . . . . . 68 ASP HA . 27596 1 655 . 1 1 68 68 ASP HB2 H 1 2.752 0.000 . 2 . . . . . 68 ASP HB2 . 27596 1 656 . 1 1 68 68 ASP HB3 H 1 2.660 0.000 . 2 . . . . . 68 ASP HB3 . 27596 1 657 . 1 1 68 68 ASP C C 13 176.639 0.003 . 1 . . . . . 68 ASP C . 27596 1 658 . 1 1 68 68 ASP CA C 13 54.694 0.032 . 1 . . . . . 68 ASP CA . 27596 1 659 . 1 1 68 68 ASP CB C 13 41.139 0.042 . 1 . . . . . 68 ASP CB . 27596 1 660 . 1 1 68 68 ASP N N 15 120.924 0.020 . 1 . . . . . 68 ASP N . 27596 1 661 . 1 1 69 69 ARG H H 1 8.289 0.004 . 1 . . . . . 69 ARG H . 27596 1 662 . 1 1 69 69 ARG HA H 1 4.322 0.000 . 1 . . . . . 69 ARG HA . 27596 1 663 . 1 1 69 69 ARG HB2 H 1 1.931 0.000 . 2 . . . . . 69 ARG HB2 . 27596 1 664 . 1 1 69 69 ARG HB3 H 1 1.784 0.000 . 2 . . . . . 69 ARG HB3 . 27596 1 665 . 1 1 69 69 ARG HG2 H 1 1.655 0.000 . 1 . . . . . 69 ARG HG2 . 27596 1 666 . 1 1 69 69 ARG HD2 H 1 3.204 0.000 . 1 . . . . . 69 ARG HD2 . 27596 1 667 . 1 1 69 69 ARG C C 13 176.737 0.068 . 1 . . . . . 69 ARG C . 27596 1 668 . 1 1 69 69 ARG CA C 13 56.636 0.019 . 1 . . . . . 69 ARG CA . 27596 1 669 . 1 1 69 69 ARG CB C 13 30.478 0.021 . 1 . . . . . 69 ARG CB . 27596 1 670 . 1 1 69 69 ARG CG C 13 27.150 0.000 . 1 . . . . . 69 ARG CG . 27596 1 671 . 1 1 69 69 ARG CD C 13 43.379 0.000 . 1 . . . . . 69 ARG CD . 27596 1 672 . 1 1 69 69 ARG N N 15 122.103 0.052 . 1 . . . . . 69 ARG N . 27596 1 673 . 1 1 70 70 SER H H 1 8.350 0.002 . 1 . . . . . 70 SER H . 27596 1 674 . 1 1 70 70 SER HA H 1 4.370 0.000 . 1 . . . . . 70 SER HA . 27596 1 675 . 1 1 70 70 SER HB2 H 1 3.897 0.000 . 1 . . . . . 70 SER HB2 . 27596 1 676 . 1 1 70 70 SER C C 13 174.495 0.002 . 1 . . . . . 70 SER C . 27596 1 677 . 1 1 70 70 SER CA C 13 59.207 0.072 . 1 . . . . . 70 SER CA . 27596 1 678 . 1 1 70 70 SER CB C 13 63.829 0.035 . 1 . . . . . 70 SER CB . 27596 1 679 . 1 1 70 70 SER N N 15 116.582 0.016 . 1 . . . . . 70 SER N . 27596 1 680 . 1 1 71 71 ALA H H 1 8.157 0.001 . 1 . . . . . 71 ALA H . 27596 1 681 . 1 1 71 71 ALA HA H 1 4.344 0.000 . 1 . . . . . 71 ALA HA . 27596 1 682 . 1 1 71 71 ALA HB1 H 1 1.404 0.000 . 1 . . . . . 71 ALA HB1 . 27596 1 683 . 1 1 71 71 ALA HB2 H 1 1.404 0.000 . 1 . . . . . 71 ALA HB2 . 27596 1 684 . 1 1 71 71 ALA HB3 H 1 1.404 0.000 . 1 . . . . . 71 ALA HB3 . 27596 1 685 . 1 1 71 71 ALA C C 13 177.879 0.003 . 1 . . . . . 71 ALA C . 27596 1 686 . 1 1 71 71 ALA CA C 13 52.787 0.004 . 1 . . . . . 71 ALA CA . 27596 1 687 . 1 1 71 71 ALA CB C 13 19.194 0.011 . 1 . . . . . 71 ALA CB . 27596 1 688 . 1 1 71 71 ALA N N 15 125.545 0.019 . 1 . . . . . 71 ALA N . 27596 1 689 . 1 1 72 72 ILE H H 1 7.952 0.002 . 1 . . . . . 72 ILE H . 27596 1 690 . 1 1 72 72 ILE HA H 1 4.137 0.000 . 1 . . . . . 72 ILE HA . 27596 1 691 . 1 1 72 72 ILE HB H 1 1.876 0.000 . 1 . . . . . 72 ILE HB . 27596 1 692 . 1 1 72 72 ILE HG12 H 1 1.478 0.000 . 2 . . . . . 72 ILE HG12 . 27596 1 693 . 1 1 72 72 ILE HG13 H 1 1.189 0.000 . 2 . . . . . 72 ILE HG13 . 27596 1 694 . 1 1 72 72 ILE HG21 H 1 0.910 0.000 . 1 . . . . . 72 ILE HG21 . 27596 1 695 . 1 1 72 72 ILE HG22 H 1 0.910 0.000 . 1 . . . . . 72 ILE HG22 . 27596 1 696 . 1 1 72 72 ILE HG23 H 1 0.910 0.000 . 1 . . . . . 72 ILE HG23 . 27596 1 697 . 1 1 72 72 ILE HD11 H 1 0.910 0.000 . 1 . . . . . 72 ILE HD11 . 27596 1 698 . 1 1 72 72 ILE HD12 H 1 0.910 0.000 . 1 . . . . . 72 ILE HD12 . 27596 1 699 . 1 1 72 72 ILE HD13 H 1 0.910 0.000 . 1 . . . . . 72 ILE HD13 . 27596 1 700 . 1 1 72 72 ILE C C 13 176.503 0.000 . 1 . . . . . 72 ILE C . 27596 1 701 . 1 1 72 72 ILE CA C 13 61.618 0.054 . 1 . . . . . 72 ILE CA . 27596 1 702 . 1 1 72 72 ILE CB C 13 38.770 0.049 . 1 . . . . . 72 ILE CB . 27596 1 703 . 1 1 72 72 ILE CG1 C 13 27.425 0.005 . 1 . . . . . 72 ILE CG1 . 27596 1 704 . 1 1 72 72 ILE CG2 C 13 17.557 0.000 . 1 . . . . . 72 ILE CG2 . 27596 1 705 . 1 1 72 72 ILE CD1 C 13 13.009 0.000 . 1 . . . . . 72 ILE CD1 . 27596 1 706 . 1 1 72 72 ILE N N 15 119.309 0.019 . 1 . . . . . 72 ILE N . 27596 1 707 . 1 1 73 73 SER H H 1 8.249 0.003 . 1 . . . . . 73 SER H . 27596 1 708 . 1 1 73 73 SER HA H 1 4.447 0.000 . 1 . . . . . 73 SER HA . 27596 1 709 . 1 1 73 73 SER HB2 H 1 3.876 0.000 . 1 . . . . . 73 SER HB2 . 27596 1 710 . 1 1 73 73 SER C C 13 174.801 0.001 . 1 . . . . . 73 SER C . 27596 1 711 . 1 1 73 73 SER CA C 13 58.652 0.021 . 1 . . . . . 73 SER CA . 27596 1 712 . 1 1 73 73 SER CB C 13 63.956 0.002 . 1 . . . . . 73 SER CB . 27596 1 713 . 1 1 73 73 SER N N 15 119.163 0.029 . 1 . . . . . 73 SER N . 27596 1 714 . 1 1 74 74 GLU H H 1 8.398 0.002 . 1 . . . . . 74 GLU H . 27596 1 715 . 1 1 74 74 GLU HA H 1 4.290 0.000 . 1 . . . . . 74 GLU HA . 27596 1 716 . 1 1 74 74 GLU HB2 H 1 2.075 0.000 . 2 . . . . . 74 GLU HB2 . 27596 1 717 . 1 1 74 74 GLU HB3 H 1 1.979 0.000 . 2 . . . . . 74 GLU HB3 . 27596 1 718 . 1 1 74 74 GLU HG2 H 1 2.282 0.000 . 1 . . . . . 74 GLU HG2 . 27596 1 719 . 1 1 74 74 GLU C C 13 176.592 0.000 . 1 . . . . . 74 GLU C . 27596 1 720 . 1 1 74 74 GLU CA C 13 57.039 0.001 . 1 . . . . . 74 GLU CA . 27596 1 721 . 1 1 74 74 GLU CB C 13 30.173 0.001 . 1 . . . . . 74 GLU CB . 27596 1 722 . 1 1 74 74 GLU CG C 13 36.378 0.000 . 1 . . . . . 74 GLU CG . 27596 1 723 . 1 1 74 74 GLU N N 15 122.995 0.016 . 1 . . . . . 74 GLU N . 27596 1 724 . 1 1 75 75 ARG H H 1 8.179 0.002 . 1 . . . . . 75 ARG H . 27596 1 725 . 1 1 75 75 ARG HA H 1 4.299 0.000 . 1 . . . . . 75 ARG HA . 27596 1 726 . 1 1 75 75 ARG HB2 H 1 1.790 0.000 . 2 . . . . . 75 ARG HB2 . 27596 1 727 . 1 1 75 75 ARG HB3 H 1 1.870 0.000 . 2 . . . . . 75 ARG HB3 . 27596 1 728 . 1 1 75 75 ARG HG2 H 1 1.644 0.000 . 1 . . . . . 75 ARG HG2 . 27596 1 729 . 1 1 75 75 ARG HD2 H 1 3.205 0.000 . 1 . . . . . 75 ARG HD2 . 27596 1 730 . 1 1 75 75 ARG C C 13 176.495 0.000 . 1 . . . . . 75 ARG C . 27596 1 731 . 1 1 75 75 ARG CA C 13 56.497 0.010 . 1 . . . . . 75 ARG CA . 27596 1 732 . 1 1 75 75 ARG CB C 13 30.881 0.008 . 1 . . . . . 75 ARG CB . 27596 1 733 . 1 1 75 75 ARG CG C 13 27.125 0.000 . 1 . . . . . 75 ARG CG . 27596 1 734 . 1 1 75 75 ARG CD C 13 43.409 0.000 . 1 . . . . . 75 ARG CD . 27596 1 735 . 1 1 75 75 ARG N N 15 120.863 0.010 . 1 . . . . . 75 ARG N . 27596 1 736 . 1 1 76 76 GLU H H 1 8.378 0.001 . 1 . . . . . 76 GLU H . 27596 1 737 . 1 1 76 76 GLU HA H 1 4.317 0.000 . 1 . . . . . 76 GLU HA . 27596 1 738 . 1 1 76 76 GLU HB2 H 1 1.989 0.000 . 2 . . . . . 76 GLU HB2 . 27596 1 739 . 1 1 76 76 GLU HB3 H 1 2.079 0.000 . 2 . . . . . 76 GLU HB3 . 27596 1 740 . 1 1 76 76 GLU HG2 H 1 2.276 0.000 . 1 . . . . . 76 GLU HG2 . 27596 1 741 . 1 1 76 76 GLU C C 13 176.674 0.000 . 1 . . . . . 76 GLU C . 27596 1 742 . 1 1 76 76 GLU CA C 13 56.975 0.008 . 1 . . . . . 76 GLU CA . 27596 1 743 . 1 1 76 76 GLU CB C 13 30.331 0.010 . 1 . . . . . 76 GLU CB . 27596 1 744 . 1 1 76 76 GLU CG C 13 36.461 0.000 . 1 . . . . . 76 GLU CG . 27596 1 745 . 1 1 76 76 GLU N N 15 121.575 0.017 . 1 . . . . . 76 GLU N . 27596 1 746 . 1 1 77 77 THR H H 1 8.068 0.002 . 1 . . . . . 77 THR H . 27596 1 747 . 1 1 77 77 THR HA H 1 4.294 0.000 . 1 . . . . . 77 THR HA . 27596 1 748 . 1 1 77 77 THR HB H 1 4.201 0.000 . 1 . . . . . 77 THR HB . 27596 1 749 . 1 1 77 77 THR HG21 H 1 1.205 0.000 . 1 . . . . . 77 THR HG21 . 27596 1 750 . 1 1 77 77 THR HG22 H 1 1.205 0.000 . 1 . . . . . 77 THR HG22 . 27596 1 751 . 1 1 77 77 THR HG23 H 1 1.205 0.000 . 1 . . . . . 77 THR HG23 . 27596 1 752 . 1 1 77 77 THR C C 13 174.046 0.000 . 1 . . . . . 77 THR C . 27596 1 753 . 1 1 77 77 THR CA C 13 62.026 0.092 . 1 . . . . . 77 THR CA . 27596 1 754 . 1 1 77 77 THR CB C 13 69.987 0.033 . 1 . . . . . 77 THR CB . 27596 1 755 . 1 1 77 77 THR CG2 C 13 21.595 0.000 . 1 . . . . . 77 THR CG2 . 27596 1 756 . 1 1 77 77 THR N N 15 115.023 0.014 . 1 . . . . . 77 THR N . 27596 1 757 . 1 1 78 78 ALA H H 1 8.222 0.002 . 1 . . . . . 78 ALA H . 27596 1 758 . 1 1 78 78 ALA HA H 1 4.353 0.000 . 1 . . . . . 78 ALA HA . 27596 1 759 . 1 1 78 78 ALA HB1 H 1 1.365 0.000 . 1 . . . . . 78 ALA HB1 . 27596 1 760 . 1 1 78 78 ALA HB2 H 1 1.365 0.000 . 1 . . . . . 78 ALA HB2 . 27596 1 761 . 1 1 78 78 ALA HB3 H 1 1.365 0.000 . 1 . . . . . 78 ALA HB3 . 27596 1 762 . 1 1 78 78 ALA C C 13 177.310 0.002 . 1 . . . . . 78 ALA C . 27596 1 763 . 1 1 78 78 ALA CA C 13 52.267 0.028 . 1 . . . . . 78 ALA CA . 27596 1 764 . 1 1 78 78 ALA CB C 13 19.371 0.040 . 1 . . . . . 78 ALA CB . 27596 1 765 . 1 1 78 78 ALA N N 15 126.754 0.016 . 1 . . . . . 78 ALA N . 27596 1 766 . 1 1 79 79 LEU H H 1 8.208 0.002 . 1 . . . . . 79 LEU H . 27596 1 767 . 1 1 79 79 LEU HA H 1 4.594 0.000 . 1 . . . . . 79 LEU HA . 27596 1 768 . 1 1 79 79 LEU HB2 H 1 1.594 0.000 . 1 . . . . . 79 LEU HB2 . 27596 1 769 . 1 1 79 79 LEU HG H 1 1.687 0.000 . 1 . . . . . 79 LEU HG . 27596 1 770 . 1 1 79 79 LEU HD11 H 1 0.920 0.000 . 2 . . . . . 79 LEU HD11 . 27596 1 771 . 1 1 79 79 LEU HD12 H 1 0.920 0.000 . 2 . . . . . 79 LEU HD12 . 27596 1 772 . 1 1 79 79 LEU HD13 H 1 0.920 0.000 . 2 . . . . . 79 LEU HD13 . 27596 1 773 . 1 1 79 79 LEU HD21 H 1 0.909 0.000 . 2 . . . . . 79 LEU HD21 . 27596 1 774 . 1 1 79 79 LEU HD22 H 1 0.909 0.000 . 2 . . . . . 79 LEU HD22 . 27596 1 775 . 1 1 79 79 LEU HD23 H 1 0.909 0.000 . 2 . . . . . 79 LEU HD23 . 27596 1 776 . 1 1 79 79 LEU C C 13 175.335 0.000 . 1 . . . . . 79 LEU C . 27596 1 777 . 1 1 79 79 LEU CA C 13 53.155 0.009 . 1 . . . . . 79 LEU CA . 27596 1 778 . 1 1 79 79 LEU CB C 13 41.741 0.003 . 1 . . . . . 79 LEU CB . 27596 1 779 . 1 1 79 79 LEU CG C 13 26.966 0.000 . 1 . . . . . 79 LEU CG . 27596 1 780 . 1 1 79 79 LEU CD1 C 13 25.192 0.000 . 2 . . . . . 79 LEU CD1 . 27596 1 781 . 1 1 79 79 LEU CD2 C 13 23.392 0.000 . 2 . . . . . 79 LEU CD2 . 27596 1 782 . 1 1 79 79 LEU N N 15 123.094 0.010 . 1 . . . . . 79 LEU N . 27596 1 783 . 1 1 80 80 PRO HA H 1 4.419 0.000 . 1 . . . . . 80 PRO HA . 27596 1 784 . 1 1 80 80 PRO HB2 H 1 2.272 0.000 . 2 . . . . . 80 PRO HB2 . 27596 1 785 . 1 1 80 80 PRO HB3 H 1 1.921 0.000 . 2 . . . . . 80 PRO HB3 . 27596 1 786 . 1 1 80 80 PRO HG2 H 1 2.048 0.000 . 1 . . . . . 80 PRO HG2 . 27596 1 787 . 1 1 80 80 PRO HD2 H 1 3.868 0.000 . 1 . . . . . 80 PRO HD2 . 27596 1 788 . 1 1 80 80 PRO CA C 13 63.403 0.000 . 1 . . . . . 80 PRO CA . 27596 1 789 . 1 1 80 80 PRO CB C 13 31.987 0.040 . 1 . . . . . 80 PRO CB . 27596 1 790 . 1 1 80 80 PRO CG C 13 27.458 0.003 . 1 . . . . . 80 PRO CG . 27596 1 791 . 1 1 80 80 PRO CD C 13 50.637 0.000 . 1 . . . . . 80 PRO CD . 27596 1 792 . 1 1 81 81 GLU HA H 1 4.159 0.000 . 1 . . . . . 81 GLU HA . 27596 1 793 . 1 1 81 81 GLU HB2 H 1 2.029 0.000 . 1 . . . . . 81 GLU HB2 . 27596 1 794 . 1 1 81 81 GLU HG2 H 1 2.300 0.000 . 1 . . . . . 81 GLU HG2 . 27596 1 795 . 1 1 81 81 GLU C C 13 177.185 0.000 . 1 . . . . . 81 GLU C . 27596 1 796 . 1 1 81 81 GLU CA C 13 57.835 0.001 . 1 . . . . . 81 GLU CA . 27596 1 797 . 1 1 81 81 GLU CB C 13 29.955 0.015 . 1 . . . . . 81 GLU CB . 27596 1 798 . 1 1 81 81 GLU CG C 13 36.365 0.000 . 1 . . . . . 81 GLU CG . 27596 1 799 . 1 1 82 82 SER H H 1 8.274 0.002 . 1 . . . . . 82 SER H . 27596 1 800 . 1 1 82 82 SER HA H 1 4.328 0.000 . 1 . . . . . 82 SER HA . 27596 1 801 . 1 1 82 82 SER HB2 H 1 3.892 0.000 . 1 . . . . . 82 SER HB2 . 27596 1 802 . 1 1 82 82 SER C C 13 175.184 0.000 . 1 . . . . . 82 SER C . 27596 1 803 . 1 1 82 82 SER CA C 13 59.347 0.072 . 1 . . . . . 82 SER CA . 27596 1 804 . 1 1 82 82 SER CB C 13 63.403 0.032 . 1 . . . . . 82 SER CB . 27596 1 805 . 1 1 82 82 SER N N 15 115.482 0.025 . 1 . . . . . 82 SER N . 27596 1 806 . 1 1 83 83 VAL H H 1 7.800 0.004 . 1 . . . . . 83 VAL H . 27596 1 807 . 1 1 83 83 VAL HA H 1 4.055 0.000 . 1 . . . . . 83 VAL HA . 27596 1 808 . 1 1 83 83 VAL HB H 1 2.113 0.000 . 1 . . . . . 83 VAL HB . 27596 1 809 . 1 1 83 83 VAL HG11 H 1 0.952 0.000 . 1 . . . . . 83 VAL HG11 . 27596 1 810 . 1 1 83 83 VAL HG12 H 1 0.952 0.000 . 1 . . . . . 83 VAL HG12 . 27596 1 811 . 1 1 83 83 VAL HG13 H 1 0.952 0.000 . 1 . . . . . 83 VAL HG13 . 27596 1 812 . 1 1 83 83 VAL C C 13 176.761 0.010 . 1 . . . . . 83 VAL C . 27596 1 813 . 1 1 83 83 VAL CA C 13 63.222 0.029 . 1 . . . . . 83 VAL CA . 27596 1 814 . 1 1 83 83 VAL CB C 13 32.477 0.006 . 1 . . . . . 83 VAL CB . 27596 1 815 . 1 1 83 83 VAL CG1 C 13 21.065 0.000 . 1 . . . . . 83 VAL CG1 . 27596 1 816 . 1 1 83 83 VAL N N 15 121.795 0.013 . 1 . . . . . 83 VAL N . 27596 1 817 . 1 1 84 84 LEU H H 1 8.059 0.005 . 1 . . . . . 84 LEU H . 27596 1 818 . 1 1 84 84 LEU HA H 1 4.269 0.000 . 1 . . . . . 84 LEU HA . 27596 1 819 . 1 1 84 84 LEU HB2 H 1 1.671 0.000 . 2 . . . . . 84 LEU HB2 . 27596 1 820 . 1 1 84 84 LEU HB3 H 1 1.592 0.000 . 2 . . . . . 84 LEU HB3 . 27596 1 821 . 1 1 84 84 LEU HD11 H 1 0.897 0.000 . 2 . . . . . 84 LEU HD11 . 27596 1 822 . 1 1 84 84 LEU HD12 H 1 0.897 0.000 . 2 . . . . . 84 LEU HD12 . 27596 1 823 . 1 1 84 84 LEU HD13 H 1 0.897 0.000 . 2 . . . . . 84 LEU HD13 . 27596 1 824 . 1 1 84 84 LEU HD21 H 1 0.859 0.000 . 2 . . . . . 84 LEU HD21 . 27596 1 825 . 1 1 84 84 LEU HD22 H 1 0.859 0.000 . 2 . . . . . 84 LEU HD22 . 27596 1 826 . 1 1 84 84 LEU HD23 H 1 0.859 0.000 . 2 . . . . . 84 LEU HD23 . 27596 1 827 . 1 1 84 84 LEU C C 13 177.946 0.005 . 1 . . . . . 84 LEU C . 27596 1 828 . 1 1 84 84 LEU CA C 13 55.997 0.016 . 1 . . . . . 84 LEU CA . 27596 1 829 . 1 1 84 84 LEU CB C 13 42.184 0.000 . 1 . . . . . 84 LEU CB . 27596 1 830 . 1 1 84 84 LEU CD1 C 13 24.804 0.000 . 2 . . . . . 84 LEU CD1 . 27596 1 831 . 1 1 84 84 LEU CD2 C 13 23.770 0.000 . 2 . . . . . 84 LEU CD2 . 27596 1 832 . 1 1 84 84 LEU N N 15 124.166 0.035 . 1 . . . . . 84 LEU N . 27596 1 833 . 1 1 85 85 ARG H H 1 8.228 0.001 . 1 . . . . . 85 ARG H . 27596 1 834 . 1 1 85 85 ARG HA H 1 4.256 0.000 . 1 . . . . . 85 ARG HA . 27596 1 835 . 1 1 85 85 ARG HB2 H 1 1.828 0.000 . 1 . . . . . 85 ARG HB2 . 27596 1 836 . 1 1 85 85 ARG C C 13 177.098 0.000 . 1 . . . . . 85 ARG C . 27596 1 837 . 1 1 85 85 ARG CA C 13 56.931 0.013 . 1 . . . . . 85 ARG CA . 27596 1 838 . 1 1 85 85 ARG CB C 13 30.728 0.000 . 1 . . . . . 85 ARG CB . 27596 1 839 . 1 1 85 85 ARG N N 15 121.115 0.031 . 1 . . . . . 85 ARG N . 27596 1 840 . 1 1 86 86 GLU H H 1 8.301 0.002 . 1 . . . . . 86 GLU H . 27596 1 841 . 1 1 86 86 GLU HA H 1 4.240 0.000 . 1 . . . . . 86 GLU HA . 27596 1 842 . 1 1 86 86 GLU HB2 H 1 2.084 0.000 . 2 . . . . . 86 GLU HB2 . 27596 1 843 . 1 1 86 86 GLU HB3 H 1 2.020 0.000 . 2 . . . . . 86 GLU HB3 . 27596 1 844 . 1 1 86 86 GLU HG2 H 1 2.301 0.000 . 1 . . . . . 86 GLU HG2 . 27596 1 845 . 1 1 86 86 GLU C C 13 177.187 0.014 . 1 . . . . . 86 GLU C . 27596 1 846 . 1 1 86 86 GLU CA C 13 57.502 0.022 . 1 . . . . . 86 GLU CA . 27596 1 847 . 1 1 86 86 GLU CB C 13 30.010 0.000 . 1 . . . . . 86 GLU CB . 27596 1 848 . 1 1 86 86 GLU CG C 13 36.308 0.000 . 1 . . . . . 86 GLU CG . 27596 1 849 . 1 1 86 86 GLU N N 15 121.203 0.023 . 1 . . . . . 86 GLU N . 27596 1 850 . 1 1 87 87 SER H H 1 8.257 0.003 . 1 . . . . . 87 SER H . 27596 1 851 . 1 1 87 87 SER HA H 1 4.404 0.000 . 1 . . . . . 87 SER HA . 27596 1 852 . 1 1 87 87 SER HB2 H 1 3.936 0.000 . 1 . . . . . 87 SER HB2 . 27596 1 853 . 1 1 87 87 SER C C 13 175.142 0.000 . 1 . . . . . 87 SER C . 27596 1 854 . 1 1 87 87 SER CA C 13 59.255 0.066 . 1 . . . . . 87 SER CA . 27596 1 855 . 1 1 87 87 SER CB C 13 63.730 0.039 . 1 . . . . . 87 SER CB . 27596 1 856 . 1 1 87 87 SER N N 15 116.059 0.018 . 1 . . . . . 87 SER N . 27596 1 857 . 1 1 88 88 GLN H H 1 8.260 0.002 . 1 . . . . . 88 GLN H . 27596 1 858 . 1 1 88 88 GLN HA H 1 4.270 0.000 . 1 . . . . . 88 GLN HA . 27596 1 859 . 1 1 88 88 GLN HB2 H 1 2.141 0.000 . 2 . . . . . 88 GLN HB2 . 27596 1 860 . 1 1 88 88 GLN HB3 H 1 2.068 0.000 . 2 . . . . . 88 GLN HB3 . 27596 1 861 . 1 1 88 88 GLN HG2 H 1 2.386 0.000 . 1 . . . . . 88 GLN HG2 . 27596 1 862 . 1 1 88 88 GLN C C 13 176.472 0.019 . 1 . . . . . 88 GLN C . 27596 1 863 . 1 1 88 88 GLN CA C 13 56.691 0.044 . 1 . . . . . 88 GLN CA . 27596 1 864 . 1 1 88 88 GLN CB C 13 29.048 0.001 . 1 . . . . . 88 GLN CB . 27596 1 865 . 1 1 88 88 GLN CG C 13 33.872 0.000 . 1 . . . . . 88 GLN CG . 27596 1 866 . 1 1 88 88 GLN N N 15 121.841 0.034 . 1 . . . . . 88 GLN N . 27596 1 867 . 1 1 89 89 ARG H H 1 8.136 0.001 . 1 . . . . . 89 ARG H . 27596 1 868 . 1 1 89 89 ARG HA H 1 4.270 0.000 . 1 . . . . . 89 ARG HA . 27596 1 869 . 1 1 89 89 ARG HB2 H 1 1.840 0.000 . 1 . . . . . 89 ARG HB2 . 27596 1 870 . 1 1 89 89 ARG HG2 H 1 1.652 0.000 . 1 . . . . . 89 ARG HG2 . 27596 1 871 . 1 1 89 89 ARG HD2 H 1 3.208 0.000 . 1 . . . . . 89 ARG HD2 . 27596 1 872 . 1 1 89 89 ARG C C 13 177.128 0.005 . 1 . . . . . 89 ARG C . 27596 1 873 . 1 1 89 89 ARG CA C 13 57.137 0.000 . 1 . . . . . 89 ARG CA . 27596 1 874 . 1 1 89 89 ARG CB C 13 30.579 0.005 . 1 . . . . . 89 ARG CB . 27596 1 875 . 1 1 89 89 ARG CG C 13 27.209 0.000 . 1 . . . . . 89 ARG CG . 27596 1 876 . 1 1 89 89 ARG CD C 13 43.329 0.000 . 1 . . . . . 89 ARG CD . 27596 1 877 . 1 1 89 89 ARG N N 15 121.081 0.010 . 1 . . . . . 89 ARG N . 27596 1 878 . 1 1 90 90 GLU H H 1 8.335 0.001 . 1 . . . . . 90 GLU H . 27596 1 879 . 1 1 90 90 GLU HA H 1 4.266 0.000 . 1 . . . . . 90 GLU HA . 27596 1 880 . 1 1 90 90 GLU HB2 H 1 2.075 0.000 . 2 . . . . . 90 GLU HB2 . 27596 1 881 . 1 1 90 90 GLU HB3 H 1 1.979 0.000 . 2 . . . . . 90 GLU HB3 . 27596 1 882 . 1 1 90 90 GLU HG2 H 1 2.282 0.000 . 1 . . . . . 90 GLU HG2 . 27596 1 883 . 1 1 90 90 GLU C C 13 177.079 0.005 . 1 . . . . . 90 GLU C . 27596 1 884 . 1 1 90 90 GLU CA C 13 57.473 0.075 . 1 . . . . . 90 GLU CA . 27596 1 885 . 1 1 90 90 GLU CB C 13 30.022 0.001 . 1 . . . . . 90 GLU CB . 27596 1 886 . 1 1 90 90 GLU CG C 13 36.379 0.000 . 1 . . . . . 90 GLU CG . 27596 1 887 . 1 1 90 90 GLU N N 15 121.080 0.017 . 1 . . . . . 90 GLU N . 27596 1 888 . 1 1 91 91 ARG H H 1 8.183 0.001 . 1 . . . . . 91 ARG H . 27596 1 889 . 1 1 91 91 ARG HA H 1 4.259 0.000 . 1 . . . . . 91 ARG HA . 27596 1 890 . 1 1 91 91 ARG HB2 H 1 1.846 0.000 . 1 . . . . . 91 ARG HB2 . 27596 1 891 . 1 1 91 91 ARG HG2 H 1 1.670 0.000 . 1 . . . . . 91 ARG HG2 . 27596 1 892 . 1 1 91 91 ARG HD2 H 1 3.207 0.000 . 1 . . . . . 91 ARG HD2 . 27596 1 893 . 1 1 91 91 ARG C C 13 176.940 0.005 . 1 . . . . . 91 ARG C . 27596 1 894 . 1 1 91 91 ARG CA C 13 56.884 0.028 . 1 . . . . . 91 ARG CA . 27596 1 895 . 1 1 91 91 ARG CB C 13 30.757 0.006 . 1 . . . . . 91 ARG CB . 27596 1 896 . 1 1 91 91 ARG CG C 13 27.178 0.000 . 1 . . . . . 91 ARG CG . 27596 1 897 . 1 1 91 91 ARG CD C 13 43.386 0.000 . 1 . . . . . 91 ARG CD . 27596 1 898 . 1 1 91 91 ARG N N 15 120.854 0.044 . 1 . . . . . 91 ARG N . 27596 1 899 . 1 1 92 92 GLU H H 1 8.282 0.000 . 1 . . . . . 92 GLU H . 27596 1 900 . 1 1 92 92 GLU HA H 1 4.210 0.000 . 1 . . . . . 92 GLU HA . 27596 1 901 . 1 1 92 92 GLU HB2 H 1 2.054 0.000 . 2 . . . . . 92 GLU HB2 . 27596 1 902 . 1 1 92 92 GLU HB3 H 1 1.975 0.000 . 2 . . . . . 92 GLU HB3 . 27596 1 903 . 1 1 92 92 GLU HG2 H 1 2.299 0.000 . 1 . . . . . 92 GLU HG2 . 27596 1 904 . 1 1 92 92 GLU C C 13 176.558 0.000 . 1 . . . . . 92 GLU C . 27596 1 905 . 1 1 92 92 GLU CA C 13 56.987 0.043 . 1 . . . . . 92 GLU CA . 27596 1 906 . 1 1 92 92 GLU CB C 13 30.187 0.001 . 1 . . . . . 92 GLU CB . 27596 1 907 . 1 1 92 92 GLU CG C 13 36.371 0.000 . 1 . . . . . 92 GLU CG . 27596 1 908 . 1 1 92 92 GLU N N 15 121.131 0.000 . 1 . . . . . 92 GLU N . 27596 1 909 . 1 1 93 93 ALA H H 1 8.159 0.004 . 1 . . . . . 93 ALA H . 27596 1 910 . 1 1 93 93 ALA HA H 1 4.300 0.000 . 1 . . . . . 93 ALA HA . 27596 1 911 . 1 1 93 93 ALA HB1 H 1 1.403 0.000 . 1 . . . . . 93 ALA HB1 . 27596 1 912 . 1 1 93 93 ALA HB2 H 1 1.403 0.000 . 1 . . . . . 93 ALA HB2 . 27596 1 913 . 1 1 93 93 ALA HB3 H 1 1.403 0.000 . 1 . . . . . 93 ALA HB3 . 27596 1 914 . 1 1 93 93 ALA C C 13 178.054 0.005 . 1 . . . . . 93 ALA C . 27596 1 915 . 1 1 93 93 ALA CA C 13 52.937 0.002 . 1 . . . . . 93 ALA CA . 27596 1 916 . 1 1 93 93 ALA CB C 13 19.116 0.001 . 1 . . . . . 93 ALA CB . 27596 1 917 . 1 1 93 93 ALA N N 15 124.608 0.043 . 1 . . . . . 93 ALA N . 27596 1 918 . 1 1 94 94 VAL H H 1 7.971 0.001 . 1 . . . . . 94 VAL H . 27596 1 919 . 1 1 94 94 VAL HA H 1 4.028 0.000 . 1 . . . . . 94 VAL HA . 27596 1 920 . 1 1 94 94 VAL HB H 1 2.096 0.000 . 1 . . . . . 94 VAL HB . 27596 1 921 . 1 1 94 94 VAL HG11 H 1 0.953 0.000 . 1 . . . . . 94 VAL HG11 . 27596 1 922 . 1 1 94 94 VAL HG12 H 1 0.953 0.000 . 1 . . . . . 94 VAL HG12 . 27596 1 923 . 1 1 94 94 VAL HG13 H 1 0.953 0.000 . 1 . . . . . 94 VAL HG13 . 27596 1 924 . 1 1 94 94 VAL C C 13 176.454 0.013 . 1 . . . . . 94 VAL C . 27596 1 925 . 1 1 94 94 VAL CA C 13 62.876 0.002 . 1 . . . . . 94 VAL CA . 27596 1 926 . 1 1 94 94 VAL CB C 13 32.514 0.000 . 1 . . . . . 94 VAL CB . 27596 1 927 . 1 1 94 94 VAL CG1 C 13 21.037 0.000 . 1 . . . . . 94 VAL CG1 . 27596 1 928 . 1 1 94 94 VAL N N 15 119.060 0.032 . 1 . . . . . 94 VAL N . 27596 1 929 . 1 1 95 95 ARG H H 1 8.226 0.001 . 1 . . . . . 95 ARG H . 27596 1 930 . 1 1 95 95 ARG HA H 1 4.327 0.000 . 1 . . . . . 95 ARG HA . 27596 1 931 . 1 1 95 95 ARG HB2 H 1 1.787 0.000 . 2 . . . . . 95 ARG HB2 . 27596 1 932 . 1 1 95 95 ARG HB3 H 1 1.844 0.000 . 2 . . . . . 95 ARG HB3 . 27596 1 933 . 1 1 95 95 ARG HG2 H 1 1.611 0.000 . 2 . . . . . 95 ARG HG2 . 27596 1 934 . 1 1 95 95 ARG HG3 H 1 1.663 0.000 . 2 . . . . . 95 ARG HG3 . 27596 1 935 . 1 1 95 95 ARG HD2 H 1 3.198 0.000 . 1 . . . . . 95 ARG HD2 . 27596 1 936 . 1 1 95 95 ARG C C 13 176.433 0.002 . 1 . . . . . 95 ARG C . 27596 1 937 . 1 1 95 95 ARG CA C 13 56.433 0.009 . 1 . . . . . 95 ARG CA . 27596 1 938 . 1 1 95 95 ARG CB C 13 30.992 0.029 . 1 . . . . . 95 ARG CB . 27596 1 939 . 1 1 95 95 ARG CG C 13 27.188 0.001 . 1 . . . . . 95 ARG CG . 27596 1 940 . 1 1 95 95 ARG CD C 13 43.300 0.000 . 1 . . . . . 95 ARG CD . 27596 1 941 . 1 1 95 95 ARG N N 15 124.413 0.021 . 1 . . . . . 95 ARG N . 27596 1 942 . 1 1 96 96 GLU H H 1 8.375 0.002 . 1 . . . . . 96 GLU H . 27596 1 943 . 1 1 96 96 GLU HA H 1 4.290 0.000 . 1 . . . . . 96 GLU HA . 27596 1 944 . 1 1 96 96 GLU HB2 H 1 1.964 0.000 . 2 . . . . . 96 GLU HB2 . 27596 1 945 . 1 1 96 96 GLU HB3 H 1 2.034 0.000 . 2 . . . . . 96 GLU HB3 . 27596 1 946 . 1 1 96 96 GLU HG2 H 1 2.259 0.000 . 1 . . . . . 96 GLU HG2 . 27596 1 947 . 1 1 96 96 GLU C C 13 176.645 0.005 . 1 . . . . . 96 GLU C . 27596 1 948 . 1 1 96 96 GLU CA C 13 56.816 0.042 . 1 . . . . . 96 GLU CA . 27596 1 949 . 1 1 96 96 GLU CB C 13 30.331 0.000 . 1 . . . . . 96 GLU CB . 27596 1 950 . 1 1 96 96 GLU CG C 13 36.262 0.000 . 1 . . . . . 96 GLU CG . 27596 1 951 . 1 1 96 96 GLU N N 15 122.496 0.030 . 1 . . . . . 96 GLU N . 27596 1 952 . 1 1 97 97 VAL H H 1 8.098 0.002 . 1 . . . . . 97 VAL H . 27596 1 953 . 1 1 97 97 VAL HA H 1 4.034 0.000 . 1 . . . . . 97 VAL HA . 27596 1 954 . 1 1 97 97 VAL HB H 1 2.062 0.000 . 1 . . . . . 97 VAL HB . 27596 1 955 . 1 1 97 97 VAL HG11 H 1 0.940 0.000 . 1 . . . . . 97 VAL HG11 . 27596 1 956 . 1 1 97 97 VAL HG12 H 1 0.940 0.000 . 1 . . . . . 97 VAL HG12 . 27596 1 957 . 1 1 97 97 VAL HG13 H 1 0.940 0.000 . 1 . . . . . 97 VAL HG13 . 27596 1 958 . 1 1 97 97 VAL C C 13 176.098 0.005 . 1 . . . . . 97 VAL C . 27596 1 959 . 1 1 97 97 VAL CA C 13 62.896 0.017 . 1 . . . . . 97 VAL CA . 27596 1 960 . 1 1 97 97 VAL CB C 13 32.800 0.001 . 1 . . . . . 97 VAL CB . 27596 1 961 . 1 1 97 97 VAL CG1 C 13 20.986 0.000 . 1 . . . . . 97 VAL CG1 . 27596 1 962 . 1 1 97 97 VAL N N 15 121.673 0.038 . 1 . . . . . 97 VAL N . 27596 1 963 . 1 1 98 98 ALA H H 1 8.303 0.000 . 1 . . . . . 98 ALA H . 27596 1 964 . 1 1 98 98 ALA HA H 1 4.307 0.000 . 1 . . . . . 98 ALA HA . 27596 1 965 . 1 1 98 98 ALA HB1 H 1 1.413 0.000 . 1 . . . . . 98 ALA HB1 . 27596 1 966 . 1 1 98 98 ALA HB2 H 1 1.413 0.000 . 1 . . . . . 98 ALA HB2 . 27596 1 967 . 1 1 98 98 ALA HB3 H 1 1.413 0.000 . 1 . . . . . 98 ALA HB3 . 27596 1 968 . 1 1 98 98 ALA C C 13 178.166 0.004 . 1 . . . . . 98 ALA C . 27596 1 969 . 1 1 98 98 ALA CA C 13 52.955 0.004 . 1 . . . . . 98 ALA CA . 27596 1 970 . 1 1 98 98 ALA CB C 13 19.100 0.000 . 1 . . . . . 98 ALA CB . 27596 1 971 . 1 1 98 98 ALA N N 15 127.021 0.013 . 1 . . . . . 98 ALA N . 27596 1 972 . 1 1 99 99 ARG H H 1 8.239 0.002 . 1 . . . . . 99 ARG H . 27596 1 973 . 1 1 99 99 ARG HA H 1 4.235 0.000 . 1 . . . . . 99 ARG HA . 27596 1 974 . 1 1 99 99 ARG HB2 H 1 1.883 0.000 . 2 . . . . . 99 ARG HB2 . 27596 1 975 . 1 1 99 99 ARG HB3 H 1 1.814 0.000 . 2 . . . . . 99 ARG HB3 . 27596 1 976 . 1 1 99 99 ARG HG2 H 1 1.655 0.000 . 1 . . . . . 99 ARG HG2 . 27596 1 977 . 1 1 99 99 ARG HD2 H 1 3.218 0.000 . 1 . . . . . 99 ARG HD2 . 27596 1 978 . 1 1 99 99 ARG C C 13 176.990 0.003 . 1 . . . . . 99 ARG C . 27596 1 979 . 1 1 99 99 ARG CA C 13 57.020 0.025 . 1 . . . . . 99 ARG CA . 27596 1 980 . 1 1 99 99 ARG CB C 13 30.820 0.022 . 1 . . . . . 99 ARG CB . 27596 1 981 . 1 1 99 99 ARG CG C 13 27.263 0.000 . 1 . . . . . 99 ARG CG . 27596 1 982 . 1 1 99 99 ARG CD C 13 43.374 0.000 . 1 . . . . . 99 ARG CD . 27596 1 983 . 1 1 99 99 ARG N N 15 120.548 0.010 . 1 . . . . . 99 ARG N . 27596 1 984 . 1 1 100 100 GLU H H 1 8.485 0.001 . 1 . . . . . 100 GLU H . 27596 1 985 . 1 1 100 100 GLU HA H 1 4.201 0.000 . 1 . . . . . 100 GLU HA . 27596 1 986 . 1 1 100 100 GLU HB2 H 1 2.023 0.000 . 1 . . . . . 100 GLU HB2 . 27596 1 987 . 1 1 100 100 GLU HG2 H 1 2.273 0.000 . 1 . . . . . 100 GLU HG2 . 27596 1 988 . 1 1 100 100 GLU C C 13 176.875 0.081 . 1 . . . . . 100 GLU C . 27596 1 989 . 1 1 100 100 GLU CA C 13 57.581 0.031 . 1 . . . . . 100 GLU CA . 27596 1 990 . 1 1 100 100 GLU CB C 13 30.018 0.016 . 1 . . . . . 100 GLU CB . 27596 1 991 . 1 1 100 100 GLU CG C 13 36.320 0.000 . 1 . . . . . 100 GLU CG . 27596 1 992 . 1 1 100 100 GLU N N 15 121.012 0.023 . 1 . . . . . 100 GLU N . 27596 1 993 . 1 1 101 101 ASN H H 1 8.393 0.003 . 1 . . . . . 101 ASN H . 27596 1 994 . 1 1 101 101 ASN HA H 1 4.662 0.000 . 1 . . . . . 101 ASN HA . 27596 1 995 . 1 1 101 101 ASN HB2 H 1 2.781 0.000 . 2 . . . . . 101 ASN HB2 . 27596 1 996 . 1 1 101 101 ASN HB3 H 1 2.877 0.000 . 2 . . . . . 101 ASN HB3 . 27596 1 997 . 1 1 101 101 ASN C C 13 175.746 0.002 . 1 . . . . . 101 ASN C . 27596 1 998 . 1 1 101 101 ASN CA C 13 53.929 0.019 . 1 . . . . . 101 ASN CA . 27596 1 999 . 1 1 101 101 ASN CB C 13 38.646 0.027 . 1 . . . . . 101 ASN CB . 27596 1 1000 . 1 1 101 101 ASN N N 15 119.133 0.027 . 1 . . . . . 101 ASN N . 27596 1 1001 . 1 1 102 102 LEU H H 1 8.060 0.003 . 1 . . . . . 102 LEU H . 27596 1 1002 . 1 1 102 102 LEU HA H 1 4.264 0.000 . 1 . . . . . 102 LEU HA . 27596 1 1003 . 1 1 102 102 LEU HB2 H 1 1.700 0.000 . 2 . . . . . 102 LEU HB2 . 27596 1 1004 . 1 1 102 102 LEU HB3 H 1 1.620 0.000 . 2 . . . . . 102 LEU HB3 . 27596 1 1005 . 1 1 102 102 LEU C C 13 178.039 0.003 . 1 . . . . . 102 LEU C . 27596 1 1006 . 1 1 102 102 LEU CA C 13 56.307 0.020 . 1 . . . . . 102 LEU CA . 27596 1 1007 . 1 1 102 102 LEU CB C 13 42.239 0.001 . 1 . . . . . 102 LEU CB . 27596 1 1008 . 1 1 102 102 LEU N N 15 122.140 0.013 . 1 . . . . . 102 LEU N . 27596 1 1009 . 1 1 103 103 LEU H H 1 8.068 0.002 . 1 . . . . . 103 LEU H . 27596 1 1010 . 1 1 103 103 LEU HA H 1 4.226 0.000 . 1 . . . . . 103 LEU HA . 27596 1 1011 . 1 1 103 103 LEU HB2 H 1 1.652 0.000 . 2 . . . . . 103 LEU HB2 . 27596 1 1012 . 1 1 103 103 LEU HB3 H 1 1.710 0.000 . 2 . . . . . 103 LEU HB3 . 27596 1 1013 . 1 1 103 103 LEU C C 13 178.101 0.007 . 1 . . . . . 103 LEU C . 27596 1 1014 . 1 1 103 103 LEU CA C 13 56.477 0.001 . 1 . . . . . 103 LEU CA . 27596 1 1015 . 1 1 103 103 LEU CB C 13 42.094 0.002 . 1 . . . . . 103 LEU CB . 27596 1 1016 . 1 1 103 103 LEU N N 15 121.347 0.026 . 1 . . . . . 103 LEU N . 27596 1 1017 . 1 1 104 104 GLN H H 1 8.140 0.002 . 1 . . . . . 104 GLN H . 27596 1 1018 . 1 1 104 104 GLN HA H 1 4.165 0.000 . 1 . . . . . 104 GLN HA . 27596 1 1019 . 1 1 104 104 GLN HB2 H 1 2.082 0.000 . 1 . . . . . 104 GLN HB2 . 27596 1 1020 . 1 1 104 104 GLN HG2 H 1 2.372 0.000 . 1 . . . . . 104 GLN HG2 . 27596 1 1021 . 1 1 104 104 GLN C C 13 177.145 0.002 . 1 . . . . . 104 GLN C . 27596 1 1022 . 1 1 104 104 GLN CA C 13 57.357 0.034 . 1 . . . . . 104 GLN CA . 27596 1 1023 . 1 1 104 104 GLN CB C 13 28.984 0.001 . 1 . . . . . 104 GLN CB . 27596 1 1024 . 1 1 104 104 GLN CG C 13 33.678 0.000 . 1 . . . . . 104 GLN CG . 27596 1 1025 . 1 1 104 104 GLN N N 15 119.631 0.027 . 1 . . . . . 104 GLN N . 27596 1 1026 . 1 1 105 105 GLU H H 1 8.285 0.001 . 1 . . . . . 105 GLU H . 27596 1 1027 . 1 1 105 105 GLU HA H 1 4.165 0.000 . 1 . . . . . 105 GLU HA . 27596 1 1028 . 1 1 105 105 GLU HB2 H 1 2.049 0.000 . 1 . . . . . 105 GLU HB2 . 27596 1 1029 . 1 1 105 105 GLU HG2 H 1 2.252 0.000 . 2 . . . . . 105 GLU HG2 . 27596 1 1030 . 1 1 105 105 GLU HG3 H 1 2.322 0.000 . 2 . . . . . 105 GLU HG3 . 27596 1 1031 . 1 1 105 105 GLU C C 13 177.671 0.006 . 1 . . . . . 105 GLU C . 27596 1 1032 . 1 1 105 105 GLU CA C 13 58.151 0.010 . 1 . . . . . 105 GLU CA . 27596 1 1033 . 1 1 105 105 GLU CB C 13 29.977 0.000 . 1 . . . . . 105 GLU CB . 27596 1 1034 . 1 1 105 105 GLU CG C 13 36.422 0.002 . 1 . . . . . 105 GLU CG . 27596 1 1035 . 1 1 105 105 GLU N N 15 120.832 0.033 . 1 . . . . . 105 GLU N . 27596 1 1036 . 1 1 106 106 ARG H H 1 8.132 0.002 . 1 . . . . . 106 ARG H . 27596 1 1037 . 1 1 106 106 ARG HA H 1 4.249 0.000 . 1 . . . . . 106 ARG HA . 27596 1 1038 . 1 1 106 106 ARG HB2 H 1 1.892 0.000 . 1 . . . . . 106 ARG HB2 . 27596 1 1039 . 1 1 106 106 ARG C C 13 177.474 0.001 . 1 . . . . . 106 ARG C . 27596 1 1040 . 1 1 106 106 ARG CA C 13 57.458 0.020 . 1 . . . . . 106 ARG CA . 27596 1 1041 . 1 1 106 106 ARG CB C 13 30.096 0.000 . 1 . . . . . 106 ARG CB . 27596 1 1042 . 1 1 106 106 ARG N N 15 120.726 0.038 . 1 . . . . . 106 ARG N . 27596 1 1043 . 1 1 107 107 LEU H H 1 8.120 0.001 . 1 . . . . . 107 LEU H . 27596 1 1044 . 1 1 107 107 LEU HA H 1 4.244 0.000 . 1 . . . . . 107 LEU HA . 27596 1 1045 . 1 1 107 107 LEU HB2 H 1 1.731 0.000 . 2 . . . . . 107 LEU HB2 . 27596 1 1046 . 1 1 107 107 LEU HB3 H 1 1.600 0.000 . 2 . . . . . 107 LEU HB3 . 27596 1 1047 . 1 1 107 107 LEU C C 13 178.480 0.002 . 1 . . . . . 107 LEU C . 27596 1 1048 . 1 1 107 107 LEU CA C 13 56.602 0.009 . 1 . . . . . 107 LEU CA . 27596 1 1049 . 1 1 107 107 LEU CB C 13 42.078 0.027 . 1 . . . . . 107 LEU CB . 27596 1 1050 . 1 1 107 107 LEU N N 15 121.725 0.031 . 1 . . . . . 107 LEU N . 27596 1 1051 . 1 1 108 108 GLN H H 1 8.208 0.002 . 1 . . . . . 108 GLN H . 27596 1 1052 . 1 1 108 108 GLN HA H 1 4.228 0.000 . 1 . . . . . 108 GLN HA . 27596 1 1053 . 1 1 108 108 GLN HB2 H 1 2.107 0.000 . 1 . . . . . 108 GLN HB2 . 27596 1 1054 . 1 1 108 108 GLN HG2 H 1 2.419 0.000 . 1 . . . . . 108 GLN HG2 . 27596 1 1055 . 1 1 108 108 GLN C C 13 177.080 0.004 . 1 . . . . . 108 GLN C . 27596 1 1056 . 1 1 108 108 GLN CA C 13 57.187 0.020 . 1 . . . . . 108 GLN CA . 27596 1 1057 . 1 1 108 108 GLN CB C 13 29.064 0.000 . 1 . . . . . 108 GLN CB . 27596 1 1058 . 1 1 108 108 GLN CG C 13 34.107 0.000 . 1 . . . . . 108 GLN CG . 27596 1 1059 . 1 1 108 108 GLN N N 15 119.695 0.038 . 1 . . . . . 108 GLN N . 27596 1 1060 . 1 1 109 109 GLN H H 1 8.173 0.001 . 1 . . . . . 109 GLN H . 27596 1 1061 . 1 1 109 109 GLN HA H 1 4.182 0.000 . 1 . . . . . 109 GLN HA . 27596 1 1062 . 1 1 109 109 GLN HB2 H 1 2.115 0.000 . 1 . . . . . 109 GLN HB2 . 27596 1 1063 . 1 1 109 109 GLN HG2 H 1 2.403 0.000 . 1 . . . . . 109 GLN HG2 . 27596 1 1064 . 1 1 109 109 GLN C C 13 176.636 0.000 . 1 . . . . . 109 GLN C . 27596 1 1065 . 1 1 109 109 GLN CA C 13 57.216 0.000 . 1 . . . . . 109 GLN CA . 27596 1 1066 . 1 1 109 109 GLN CB C 13 28.911 0.000 . 1 . . . . . 109 GLN CB . 27596 1 1067 . 1 1 109 109 GLN CG C 13 33.740 0.000 . 1 . . . . . 109 GLN CG . 27596 1 1068 . 1 1 109 109 GLN N N 15 120.509 0.035 . 1 . . . . . 109 GLN N . 27596 1 1069 . 1 1 110 110 MET H H 1 8.219 0.002 . 1 . . . . . 110 MET H . 27596 1 1070 . 1 1 110 110 MET HA H 1 4.367 0.000 . 1 . . . . . 110 MET HA . 27596 1 1071 . 1 1 110 110 MET HB2 H 1 2.119 0.000 . 1 . . . . . 110 MET HB2 . 27596 1 1072 . 1 1 110 110 MET HG2 H 1 2.572 0.000 . 2 . . . . . 110 MET HG2 . 27596 1 1073 . 1 1 110 110 MET HG3 H 1 2.679 0.000 . 2 . . . . . 110 MET HG3 . 27596 1 1074 . 1 1 110 110 MET C C 13 177.188 0.002 . 1 . . . . . 110 MET C . 27596 1 1075 . 1 1 110 110 MET CA C 13 56.948 0.001 . 1 . . . . . 110 MET CA . 27596 1 1076 . 1 1 110 110 MET CB C 13 33.110 0.002 . 1 . . . . . 110 MET CB . 27596 1 1077 . 1 1 110 110 MET CG C 13 32.072 0.027 . 1 . . . . . 110 MET CG . 27596 1 1078 . 1 1 110 110 MET N N 15 120.123 0.031 . 1 . . . . . 110 MET N . 27596 1 1079 . 1 1 111 111 GLU H H 1 8.216 0.001 . 1 . . . . . 111 GLU H . 27596 1 1080 . 1 1 111 111 GLU HA H 1 4.196 0.000 . 1 . . . . . 111 GLU HA . 27596 1 1081 . 1 1 111 111 GLU HG2 H 1 2.341 0.000 . 2 . . . . . 111 GLU HG2 . 27596 1 1082 . 1 1 111 111 GLU HG3 H 1 2.257 0.000 . 2 . . . . . 111 GLU HG3 . 27596 1 1083 . 1 1 111 111 GLU C C 13 177.399 0.003 . 1 . . . . . 111 GLU C . 27596 1 1084 . 1 1 111 111 GLU CA C 13 57.825 0.038 . 1 . . . . . 111 GLU CA . 27596 1 1085 . 1 1 111 111 GLU CG C 13 36.422 0.001 . 1 . . . . . 111 GLU CG . 27596 1 1086 . 1 1 111 111 GLU N N 15 120.930 0.009 . 1 . . . . . 111 GLU N . 27596 1 1087 . 1 1 112 112 ARG H H 1 8.109 0.001 . 1 . . . . . 112 ARG H . 27596 1 1088 . 1 1 112 112 ARG HA H 1 4.207 0.000 . 1 . . . . . 112 ARG HA . 27596 1 1089 . 1 1 112 112 ARG HB2 H 1 1.861 0.000 . 1 . . . . . 112 ARG HB2 . 27596 1 1090 . 1 1 112 112 ARG HG2 H 1 1.711 0.000 . 2 . . . . . 112 ARG HG2 . 27596 1 1091 . 1 1 112 112 ARG HG3 H 1 1.624 0.000 . 2 . . . . . 112 ARG HG3 . 27596 1 1092 . 1 1 112 112 ARG HD2 H 1 3.206 0.000 . 1 . . . . . 112 ARG HD2 . 27596 1 1093 . 1 1 112 112 ARG C C 13 176.984 0.000 . 1 . . . . . 112 ARG C . 27596 1 1094 . 1 1 112 112 ARG CA C 13 57.429 0.007 . 1 . . . . . 112 ARG CA . 27596 1 1095 . 1 1 112 112 ARG CB C 13 30.762 0.000 . 1 . . . . . 112 ARG CB . 27596 1 1096 . 1 1 112 112 ARG CG C 13 27.247 0.001 . 1 . . . . . 112 ARG CG . 27596 1 1097 . 1 1 112 112 ARG CD C 13 43.505 0.000 . 1 . . . . . 112 ARG CD . 27596 1 1098 . 1 1 112 112 ARG N N 15 120.528 0.022 . 1 . . . . . 112 ARG N . 27596 1 1099 . 1 1 113 113 ASP H H 1 8.287 0.002 . 1 . . . . . 113 ASP H . 27596 1 1100 . 1 1 113 113 ASP HA H 1 4.534 0.000 . 1 . . . . . 113 ASP HA . 27596 1 1101 . 1 1 113 113 ASP HB2 H 1 2.713 0.000 . 1 . . . . . 113 ASP HB2 . 27596 1 1102 . 1 1 113 113 ASP C C 13 176.637 0.007 . 1 . . . . . 113 ASP C . 27596 1 1103 . 1 1 113 113 ASP CA C 13 55.207 0.014 . 1 . . . . . 113 ASP CA . 27596 1 1104 . 1 1 113 113 ASP CB C 13 40.984 0.014 . 1 . . . . . 113 ASP CB . 27596 1 1105 . 1 1 113 113 ASP N N 15 120.292 0.015 . 1 . . . . . 113 ASP N . 27596 1 1106 . 1 1 114 114 MET H H 1 8.046 0.001 . 1 . . . . . 114 MET H . 27596 1 1107 . 1 1 114 114 MET HA H 1 4.391 0.000 . 1 . . . . . 114 MET HA . 27596 1 1108 . 1 1 114 114 MET HB2 H 1 2.107 0.000 . 1 . . . . . 114 MET HB2 . 27596 1 1109 . 1 1 114 114 MET HG2 H 1 2.646 0.000 . 2 . . . . . 114 MET HG2 . 27596 1 1110 . 1 1 114 114 MET HG3 H 1 2.560 0.000 . 2 . . . . . 114 MET HG3 . 27596 1 1111 . 1 1 114 114 MET C C 13 176.712 0.050 . 1 . . . . . 114 MET C . 27596 1 1112 . 1 1 114 114 MET CA C 13 56.510 0.025 . 1 . . . . . 114 MET CA . 27596 1 1113 . 1 1 114 114 MET CB C 13 32.825 0.001 . 1 . . . . . 114 MET CB . 27596 1 1114 . 1 1 114 114 MET CG C 13 32.034 0.000 . 1 . . . . . 114 MET CG . 27596 1 1115 . 1 1 114 114 MET N N 15 120.111 0.016 . 1 . . . . . 114 MET N . 27596 1 1116 . 1 1 115 115 VAL H H 1 7.975 0.002 . 1 . . . . . 115 VAL H . 27596 1 1117 . 1 1 115 115 VAL HA H 1 4.003 0.000 . 1 . . . . . 115 VAL HA . 27596 1 1118 . 1 1 115 115 VAL HB H 1 2.125 0.000 . 1 . . . . . 115 VAL HB . 27596 1 1119 . 1 1 115 115 VAL HG11 H 1 0.950 0.000 . 1 . . . . . 115 VAL HG11 . 27596 1 1120 . 1 1 115 115 VAL HG12 H 1 0.950 0.000 . 1 . . . . . 115 VAL HG12 . 27596 1 1121 . 1 1 115 115 VAL HG13 H 1 0.950 0.000 . 1 . . . . . 115 VAL HG13 . 27596 1 1122 . 1 1 115 115 VAL C C 13 176.709 0.035 . 1 . . . . . 115 VAL C . 27596 1 1123 . 1 1 115 115 VAL CA C 13 63.509 0.025 . 1 . . . . . 115 VAL CA . 27596 1 1124 . 1 1 115 115 VAL CB C 13 32.404 0.033 . 1 . . . . . 115 VAL CB . 27596 1 1125 . 1 1 115 115 VAL CG1 C 13 21.237 0.000 . 1 . . . . . 115 VAL CG1 . 27596 1 1126 . 1 1 115 115 VAL N N 15 120.390 0.025 . 1 . . . . . 115 VAL N . 27596 1 1127 . 1 1 116 116 ARG H H 1 8.152 0.002 . 1 . . . . . 116 ARG H . 27596 1 1128 . 1 1 116 116 ARG HB2 H 1 1.856 0.000 . 1 . . . . . 116 ARG HB2 . 27596 1 1129 . 1 1 116 116 ARG HG2 H 1 1.670 0.000 . 1 . . . . . 116 ARG HG2 . 27596 1 1130 . 1 1 116 116 ARG HD2 H 1 3.210 0.000 . 1 . . . . . 116 ARG HD2 . 27596 1 1131 . 1 1 116 116 ARG C C 13 176.469 0.001 . 1 . . . . . 116 ARG C . 27596 1 1132 . 1 1 116 116 ARG CA C 13 56.890 0.081 . 1 . . . . . 116 ARG CA . 27596 1 1133 . 1 1 116 116 ARG CB C 13 30.870 0.006 . 1 . . . . . 116 ARG CB . 27596 1 1134 . 1 1 116 116 ARG CG C 13 27.082 0.000 . 1 . . . . . 116 ARG CG . 27596 1 1135 . 1 1 116 116 ARG CD C 13 43.430 0.000 . 1 . . . . . 116 ARG CD . 27596 1 1136 . 1 1 116 116 ARG N N 15 123.694 0.016 . 1 . . . . . 116 ARG N . 27596 1 1137 . 1 1 117 117 ASP H H 1 8.273 0.002 . 1 . . . . . 117 ASP H . 27596 1 1138 . 1 1 117 117 ASP HA H 1 4.580 0.000 . 1 . . . . . 117 ASP HA . 27596 1 1139 . 1 1 117 117 ASP HB2 H 1 2.608 0.000 . 2 . . . . . 117 ASP HB2 . 27596 1 1140 . 1 1 117 117 ASP HB3 H 1 2.746 0.000 . 2 . . . . . 117 ASP HB3 . 27596 1 1141 . 1 1 117 117 ASP C C 13 176.675 0.000 . 1 . . . . . 117 ASP C . 27596 1 1142 . 1 1 117 117 ASP CA C 13 54.763 0.016 . 1 . . . . . 117 ASP CA . 27596 1 1143 . 1 1 117 117 ASP CB C 13 40.984 0.006 . 1 . . . . . 117 ASP CB . 27596 1 1144 . 1 1 117 117 ASP N N 15 120.990 0.017 . 1 . . . . . 117 ASP N . 27596 1 1145 . 1 1 118 118 LEU H H 1 8.120 0.002 . 1 . . . . . 118 LEU H . 27596 1 1146 . 1 1 118 118 LEU HA H 1 4.247 0.000 . 1 . . . . . 118 LEU HA . 27596 1 1147 . 1 1 118 118 LEU HB2 H 1 1.696 0.000 . 2 . . . . . 118 LEU HB2 . 27596 1 1148 . 1 1 118 118 LEU HB3 H 1 1.616 0.000 . 2 . . . . . 118 LEU HB3 . 27596 1 1149 . 1 1 118 118 LEU HG H 1 1.627 0.000 . 1 . . . . . 118 LEU HG . 27596 1 1150 . 1 1 118 118 LEU HD11 H 1 0.871 0.000 . 2 . . . . . 118 LEU HD11 . 27596 1 1151 . 1 1 118 118 LEU HD12 H 1 0.871 0.000 . 2 . . . . . 118 LEU HD12 . 27596 1 1152 . 1 1 118 118 LEU HD13 H 1 0.871 0.000 . 2 . . . . . 118 LEU HD13 . 27596 1 1153 . 1 1 118 118 LEU HD21 H 1 0.930 0.000 . 2 . . . . . 118 LEU HD21 . 27596 1 1154 . 1 1 118 118 LEU HD22 H 1 0.930 0.000 . 2 . . . . . 118 LEU HD22 . 27596 1 1155 . 1 1 118 118 LEU HD23 H 1 0.930 0.000 . 2 . . . . . 118 LEU HD23 . 27596 1 1156 . 1 1 118 118 LEU C C 13 177.978 0.004 . 1 . . . . . 118 LEU C . 27596 1 1157 . 1 1 118 118 LEU CA C 13 56.057 0.011 . 1 . . . . . 118 LEU CA . 27596 1 1158 . 1 1 118 118 LEU CB C 13 42.303 0.001 . 1 . . . . . 118 LEU CB . 27596 1 1159 . 1 1 118 118 LEU CG C 13 27.101 0.000 . 1 . . . . . 118 LEU CG . 27596 1 1160 . 1 1 118 118 LEU CD1 C 13 23.479 0.000 . 2 . . . . . 118 LEU CD1 . 27596 1 1161 . 1 1 118 118 LEU CD2 C 13 24.986 0.000 . 2 . . . . . 118 LEU CD2 . 27596 1 1162 . 1 1 118 118 LEU N N 15 122.500 0.022 . 1 . . . . . 118 LEU N . 27596 1 1163 . 1 1 119 119 GLN H H 1 8.230 0.006 . 1 . . . . . 119 GLN H . 27596 1 1164 . 1 1 119 119 GLN HA H 1 4.258 0.000 . 1 . . . . . 119 GLN HA . 27596 1 1165 . 1 1 119 119 GLN HB2 H 1 2.060 0.000 . 2 . . . . . 119 GLN HB2 . 27596 1 1166 . 1 1 119 119 GLN HB3 H 1 2.137 0.000 . 2 . . . . . 119 GLN HB3 . 27596 1 1167 . 1 1 119 119 GLN HG2 H 1 2.390 0.000 . 1 . . . . . 119 GLN HG2 . 27596 1 1168 . 1 1 119 119 GLN C C 13 176.479 0.001 . 1 . . . . . 119 GLN C . 27596 1 1169 . 1 1 119 119 GLN CA C 13 56.443 0.015 . 1 . . . . . 119 GLN CA . 27596 1 1170 . 1 1 119 119 GLN CB C 13 29.002 0.008 . 1 . . . . . 119 GLN CB . 27596 1 1171 . 1 1 119 119 GLN CG C 13 33.996 0.000 . 1 . . . . . 119 GLN CG . 27596 1 1172 . 1 1 119 119 GLN N N 15 119.644 0.055 . 1 . . . . . 119 GLN N . 27596 1 1173 . 1 1 120 120 LYS H H 1 8.040 0.005 . 1 . . . . . 120 LYS H . 27596 1 1174 . 1 1 120 120 LYS HA H 1 4.234 0.000 . 1 . . . . . 120 LYS HA . 27596 1 1175 . 1 1 120 120 LYS HB2 H 1 1.846 0.000 . 1 . . . . . 120 LYS HB2 . 27596 1 1176 . 1 1 120 120 LYS HG2 H 1 1.444 0.000 . 1 . . . . . 120 LYS HG2 . 27596 1 1177 . 1 1 120 120 LYS HD2 H 1 1.681 0.000 . 1 . . . . . 120 LYS HD2 . 27596 1 1178 . 1 1 120 120 LYS HE2 H 1 2.995 0.000 . 1 . . . . . 120 LYS HE2 . 27596 1 1179 . 1 1 120 120 LYS C C 13 176.895 0.001 . 1 . . . . . 120 LYS C . 27596 1 1180 . 1 1 120 120 LYS CA C 13 56.868 0.000 . 1 . . . . . 120 LYS CA . 27596 1 1181 . 1 1 120 120 LYS CB C 13 33.095 0.002 . 1 . . . . . 120 LYS CB . 27596 1 1182 . 1 1 120 120 LYS CG C 13 24.813 0.000 . 1 . . . . . 120 LYS CG . 27596 1 1183 . 1 1 120 120 LYS CD C 13 29.030 0.000 . 1 . . . . . 120 LYS CD . 27596 1 1184 . 1 1 120 120 LYS CE C 13 42.258 0.000 . 1 . . . . . 120 LYS CE . 27596 1 1185 . 1 1 120 120 LYS N N 15 121.554 0.015 . 1 . . . . . 120 LYS N . 27596 1 1186 . 1 1 121 121 GLU H H 1 8.303 0.002 . 1 . . . . . 121 GLU H . 27596 1 1187 . 1 1 121 121 GLU HA H 1 4.240 0.000 . 1 . . . . . 121 GLU HA . 27596 1 1188 . 1 1 121 121 GLU HB2 H 1 2.055 0.000 . 2 . . . . . 121 GLU HB2 . 27596 1 1189 . 1 1 121 121 GLU HB3 H 1 1.969 0.000 . 2 . . . . . 121 GLU HB3 . 27596 1 1190 . 1 1 121 121 GLU HG2 H 1 2.279 0.000 . 1 . . . . . 121 GLU HG2 . 27596 1 1191 . 1 1 121 121 GLU C C 13 176.675 0.005 . 1 . . . . . 121 GLU C . 27596 1 1192 . 1 1 121 121 GLU CA C 13 56.963 0.000 . 1 . . . . . 121 GLU CA . 27596 1 1193 . 1 1 121 121 GLU CB C 13 30.240 0.001 . 1 . . . . . 121 GLU CB . 27596 1 1194 . 1 1 121 121 GLU CG C 13 36.311 0.000 . 1 . . . . . 121 GLU CG . 27596 1 1195 . 1 1 121 121 GLU N N 15 121.234 0.039 . 1 . . . . . 121 GLU N . 27596 1 1196 . 1 1 122 122 LYS H H 1 8.250 0.002 . 1 . . . . . 122 LYS H . 27596 1 1197 . 1 1 122 122 LYS HA H 1 4.357 0.000 . 1 . . . . . 122 LYS HA . 27596 1 1198 . 1 1 122 122 LYS HB2 H 1 1.794 0.000 . 2 . . . . . 122 LYS HB2 . 27596 1 1199 . 1 1 122 122 LYS HB3 H 1 1.864 0.000 . 2 . . . . . 122 LYS HB3 . 27596 1 1200 . 1 1 122 122 LYS HG2 H 1 1.451 0.000 . 1 . . . . . 122 LYS HG2 . 27596 1 1201 . 1 1 122 122 LYS HD2 H 1 1.688 0.000 . 1 . . . . . 122 LYS HD2 . 27596 1 1202 . 1 1 122 122 LYS HE2 H 1 2.996 0.000 . 1 . . . . . 122 LYS HE2 . 27596 1 1203 . 1 1 122 122 LYS C C 13 176.867 0.006 . 1 . . . . . 122 LYS C . 27596 1 1204 . 1 1 122 122 LYS CA C 13 56.615 0.018 . 1 . . . . . 122 LYS CA . 27596 1 1205 . 1 1 122 122 LYS CB C 13 33.003 0.022 . 1 . . . . . 122 LYS CB . 27596 1 1206 . 1 1 122 122 LYS CG C 13 24.887 0.000 . 1 . . . . . 122 LYS CG . 27596 1 1207 . 1 1 122 122 LYS CD C 13 29.061 0.000 . 1 . . . . . 122 LYS CD . 27596 1 1208 . 1 1 122 122 LYS CE C 13 42.189 0.000 . 1 . . . . . 122 LYS CE . 27596 1 1209 . 1 1 122 122 LYS N N 15 122.026 0.038 . 1 . . . . . 122 LYS N . 27596 1 1210 . 1 1 123 123 THR H H 1 8.163 0.006 . 1 . . . . . 123 THR H . 27596 1 1211 . 1 1 123 123 THR HA H 1 4.331 0.000 . 1 . . . . . 123 THR HA . 27596 1 1212 . 1 1 123 123 THR HB H 1 4.216 0.000 . 1 . . . . . 123 THR HB . 27596 1 1213 . 1 1 123 123 THR HG21 H 1 1.210 0.000 . 1 . . . . . 123 THR HG1 . 27596 1 1214 . 1 1 123 123 THR HG22 H 1 1.210 0.000 . 1 . . . . . 123 THR HG1 . 27596 1 1215 . 1 1 123 123 THR HG23 H 1 1.210 0.000 . 1 . . . . . 123 THR HG1 . 27596 1 1216 . 1 1 123 123 THR C C 13 174.682 0.002 . 1 . . . . . 123 THR C . 27596 1 1217 . 1 1 123 123 THR CA C 13 62.102 0.027 . 1 . . . . . 123 THR CA . 27596 1 1218 . 1 1 123 123 THR CB C 13 69.903 0.005 . 1 . . . . . 123 THR CB . 27596 1 1219 . 1 1 123 123 THR CG2 C 13 21.702 0.000 . 1 . . . . . 123 THR CG2 . 27596 1 1220 . 1 1 123 123 THR N N 15 115.671 0.039 . 1 . . . . . 123 THR N . 27596 1 1221 . 1 1 124 124 LEU H H 1 8.305 0.018 . 1 . . . . . 124 LEU H . 27596 1 1222 . 1 1 124 124 LEU HA H 1 4.380 0.000 . 1 . . . . . 124 LEU HA . 27596 1 1223 . 1 1 124 124 LEU HB2 H 1 1.651 0.000 . 1 . . . . . 124 LEU HB2 . 27596 1 1224 . 1 1 124 124 LEU HD11 H 1 0.887 0.000 . 2 . . . . . 124 LEU HD11 . 27596 1 1225 . 1 1 124 124 LEU HD12 H 1 0.887 0.000 . 2 . . . . . 124 LEU HD12 . 27596 1 1226 . 1 1 124 124 LEU HD13 H 1 0.887 0.000 . 2 . . . . . 124 LEU HD13 . 27596 1 1227 . 1 1 124 124 LEU HD21 H 1 0.928 0.000 . 2 . . . . . 124 LEU HD21 . 27596 1 1228 . 1 1 124 124 LEU HD22 H 1 0.928 0.000 . 2 . . . . . 124 LEU HD22 . 27596 1 1229 . 1 1 124 124 LEU HD23 H 1 0.928 0.000 . 2 . . . . . 124 LEU HD23 . 27596 1 1230 . 1 1 124 124 LEU C C 13 177.876 0.002 . 1 . . . . . 124 LEU C . 27596 1 1231 . 1 1 124 124 LEU CA C 13 55.546 0.003 . 1 . . . . . 124 LEU CA . 27596 1 1232 . 1 1 124 124 LEU CB C 13 42.409 0.035 . 1 . . . . . 124 LEU CB . 27596 1 1233 . 1 1 124 124 LEU CD1 C 13 23.576 0.000 . 2 . . . . . 124 LEU CD1 . 27596 1 1234 . 1 1 124 124 LEU CD2 C 13 24.861 0.000 . 2 . . . . . 124 LEU CD2 . 27596 1 1235 . 1 1 124 124 LEU N N 15 124.714 0.132 . 1 . . . . . 124 LEU N . 27596 1 1236 . 1 1 125 125 GLY H H 1 8.382 0.002 . 1 . . . . . 125 GLY H . 27596 1 1237 . 1 1 125 125 GLY HA2 H 1 3.983 0.000 . 1 . . . . . 125 GLY HA2 . 27596 1 1238 . 1 1 125 125 GLY C C 13 174.476 0.002 . 1 . . . . . 125 GLY C . 27596 1 1239 . 1 1 125 125 GLY CA C 13 45.392 0.030 . 1 . . . . . 125 GLY CA . 27596 1 1240 . 1 1 125 125 GLY N N 15 109.852 0.020 . 1 . . . . . 125 GLY N . 27596 1 1241 . 1 1 126 126 GLY H H 1 8.159 0.001 . 1 . . . . . 126 GLY H . 27596 1 1242 . 1 1 126 126 GLY HA2 H 1 3.972 0.000 . 1 . . . . . 126 GLY HA2 . 27596 1 1243 . 1 1 126 126 GLY C C 13 183.086 0.001 . 1 . . . . . 126 GLY C . 27596 1 1244 . 1 1 126 126 GLY CA C 13 45.242 0.014 . 1 . . . . . 126 GLY CA . 27596 1 1245 . 1 1 126 126 GLY N N 15 109.256 0.028 . 1 . . . . . 126 GLY N . 27596 1 1246 . 1 1 127 127 ASP H H 1 7.957 0.001 . 1 . . . . . 127 ASP H . 27596 1 1247 . 1 1 127 127 ASP HA H 1 4.412 0.000 . 1 . . . . . 127 ASP HA . 27596 1 1248 . 1 1 127 127 ASP HB2 H 1 2.539 0.000 . 2 . . . . . 127 ASP HB2 . 27596 1 1249 . 1 1 127 127 ASP HB3 H 1 2.664 0.000 . 2 . . . . . 127 ASP HB3 . 27596 1 1250 . 1 1 127 127 ASP C C 13 181.025 0.000 . 1 . . . . . 127 ASP C . 27596 1 1251 . 1 1 127 127 ASP CA C 13 55.900 0.033 . 1 . . . . . 127 ASP CA . 27596 1 1252 . 1 1 127 127 ASP CB C 13 42.358 0.007 . 1 . . . . . 127 ASP CB . 27596 1 1253 . 1 1 127 127 ASP N N 15 125.786 0.011 . 1 . . . . . 127 ASP N . 27596 1 stop_ save_